4-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-2-oxo-1-propyl-1,2-dihydroquinoline-3-carboxamide
기본 정보
- CAS
280112-22-3- 표준 SMILES
CCCn1c(=O)c(C(=O)Nc2ncc(C)s2)c(O)c2ccccc21- InChIKey
XXKIIIQTBBZOKY-UHFFFAOYSA-N- 분자식
- C17H17N3O3S
- 평균 분자량
- 343.4 g/mol
- 단동위원소 질량
- 343.09906259
이름 및 식별자
- 우선 이름
- 4-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-2-oxo-1-propyl-1,2-dihydroquinoline-3-carboxamide
- IUPAC
- 4-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-2-oxo-1-propylquinoline-3-carboxamide
- 영어명
- 4-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-2-oxo-1-propylquinoline-3-carboxamide
- 분자식
- C17H17N3O3S
- 분자량
- 343.4
이름 및 동의어
BAS 00505043Oprea1_145034Oprea1_507077STK867916AKOS0006247824-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-2-oxo-1-propyl-1,2-dihydroquinoline-3-carboxamideST50003042(4-hydroxy-2-oxo-1-propyl(3-hydroquinolyl))-N-(5-methyl(1,3-thiazol-2-yl))carb oxamide4-HO-2-OXO-1-PR-1,2-2H-QUINOLINE-3-CARBOXYLIC ACID (5-METHYL-THIAZOL-2-YL)-AMIDE4-hydroxy-N-(5-methylthiazol-2-yl)-2-oxo-1-propyl-1,2-dihydroquinoline-3-carboxamide4-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-2-oxo-1-propylquinoline-3-carboxamide3-Quinolinecarboxamide, 1,2-dihydro-4-hydroxy-N-(5-methyl-2-thiazolyl)-2-oxo-1-propyl-
데이터베이스 식별자
- CAS
280112-22-3- PubChem CID
- 54684569
- EC Number
- 152-761-4
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 111 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 551
물리화학적 성질
- 밀도
- 1.42 · 1.420±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.5 · 4.50±1.00(Predicted)
관련 반응
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