Cas no 882670-96-4 (3-(2-amino-6-quinazolinyl)-4-methylbenzoic acid)
882670-96-4 structure
Product Name:3-(2-amino-6-quinazolinyl)-4-methylbenzoic acid
CAS No:882670-96-4
MF:C16H13N3O2
MW:279.293323278427
CID:2122417
PubChem ID:16086080
Update Time:2025-04-21
3-(2-amino-6-quinazolinyl)-4-methylbenzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 3-(2-amino-6-quinazolinyl)-4-methylbenzoic acid
- YFAZAKNXAHJCFD-UHFFFAOYSA-N
- 3-(2-amino-6-quinazolinyl)-4-methyl-benzoic acid
- 882670-96-4
- DB-293449
- DTXSID601240819
- SCHEMBL5488850
- 3-(2-Aminoquinazolin-6-yl)-4-methylbenzoic acid
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- Inchi： 1S/C16H13N3O2/c1-9-2-3-11(15(20)21)7-13(9)10-4-5-14-12(6-10)8-18-16(17)19-14/h2-8H,1H3,(H,20,21)(H2,17,18,19)
- InChI Key： YFAZAKNXAHJCFD-UHFFFAOYSA-N
- SMILES： OC(C1C=CC(C)=C(C=1)C1C=CC2C(=CN=C(N)N=2)C=1)=O
Computed Properties
- Exact Mass: 279.100776666Da
- Monoisotopic Mass: 279.100776666Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 2
- Complexity: 390
- 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: 2.7
- Topological Polar Surface Area: 89.1?2
3-(2-amino-6-quinazolinyl)-4-methylbenzoic acid Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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