Cas no 1029512-05-7 (3-Isoquinolinecarboxamide, N-[(1R)-1-[(4-chlorophenyl)methyl]-2-[4-cyclohexyl-4-)
![3-Isoquinolinecarboxamide, N-[(1R)-1-[(4-chlorophenyl)methyl]-2-[4-cyclohexyl-4- structure](https://ossimg.kuujia.com/scimg/1030000/1029512-05-7x500.png)
1029512-05-7 structure
Product Name:3-Isoquinolinecarboxamide, N-[(1R)-1-[(4-chlorophenyl)methyl]-2-[4-cyclohexyl-4-
CAS No:1029512-05-7
MF:C11H12N4
MW:200.2397813797
CID:830974
Update Time:2026-04-29
3-Isoquinolinecarboxamide, N-[(1R)-1-[(4-chlorophenyl)methyl]-2-[4-cyclohexyl-4- Chemical and Physical Properties
Names and Identifiers
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- 3-Isoquinolinecarboxamide, N-[(1R)-1-[(4-chlorophenyl)methyl]-2-[4-cyclohexyl-4-
- 3-[(Dimethylamino)methyl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitril e
- 3-((dimethylamino)methyl)-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
- 1H-Pyrrolo[2,3-b]pyridine-5-carbonitrile, 3-[(diMethylaMino)Methyl]-
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- Inchi： InChI=1S/C11H12N4/c1-15(2)7-9-6-14-11-10(9)3-8(4-12)5-13-11/h3,5-6H,7H2,1-2H3,(H,13,14)
- InChI Key： XYGBOHJOJGCJER-UHFFFAOYSA-N
- SMILES： CN(C)CC1=CNC2=C1C=C(C#N)C=N2
Computed Properties
- Exact Mass: 200.10636
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
Experimental Properties
- PSA: 55.71
3-Isoquinolinecarboxamide, N-[(1R)-1-[(4-chlorophenyl)methyl]-2-[4-cyclohexyl-4- Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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