Cas no 130561-18-1 (3-Cinnolinecarboxylicacid, 1-(4-chlorophenyl)-1,4-dihydro-4-oxo-5-propoxy-)
130561-18-1 structure
Product Name:3-Cinnolinecarboxylicacid, 1-(4-chlorophenyl)-1,4-dihydro-4-oxo-5-propoxy-
CAS No:130561-18-1
MF:C18H15ClN2O4
MW:358.775703668594
CID:158996
PubChem ID:443038
Update Time:2025-04-19
3-Cinnolinecarboxylicacid, 1-(4-chlorophenyl)-1,4-dihydro-4-oxo-5-propoxy- Chemical and Physical Properties
Names and Identifiers
-
- 3-Cinnolinecarboxylicacid, 1-(4-chlorophenyl)-1,4-dihydro-4-oxo-5-propoxy-
- SC 1271
- 1-(4-chlorophenyl)-4-oxo-5-propoxycinnoline-3-carboxylic acid
- ACMC-20mtov
- 130561-18-1
- 1-(4-chlorophenyl)-4-oxo-5-propoxy-cinnoline-3-carboxylic acid
- Q27108200
- 1-(4'-Chlorophenyl)-1,4-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid
- C10969
- AC1L9DX5
- CHEBI:8981
- SC-1271
- SureCN8830130
- SCHEMBL8830130
- DTXSID10332046
-
- Inchi： 1S/C18H15ClN2O4/c1-2-10-25-14-5-3-4-13-15(14)17(22)16(18(23)24)20-21(13)12-8-6-11(19)7-9-12/h3-9H,2,10H2,1H3,(H,23,24)
- InChI Key： VFYQJNIDOUTUCX-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)N1C2C=CC=C(C=2C(C(C(=O)O)=N1)=O)OCCC
Computed Properties
- Exact Mass: 358.072
- Monoisotopic Mass: 358.072
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 25
- Rotatable Bond Count: 5
- Complexity: 545
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5
- Topological Polar Surface Area: 79.2?2
3-Cinnolinecarboxylicacid, 1-(4-chlorophenyl)-1,4-dihydro-4-oxo-5-propoxy- Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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