1-Hydroxy-3-oxo-6,7-dihydro-3H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid (5-methyl-thiazol-2-yl)-amide
기본 정보
- CAS
377057-78-8- 표준 SMILES
Cc1cnc(NC(=O)c2c(O)c3cccc4c3n(c2=O)CCC4)s1- InChIKey
SJXHMJKBSCXNPD-UHFFFAOYSA-N- 분자식
- C17H15N3O3S
- 평균 분자량
- 341.4 g/mol
- 단동위원소 질량
- 341.08341252
이름 및 식별자
- 우선 이름
- 1-Hydroxy-3-oxo-6,7-dihydro-3H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid (5-methyl-thiazol-2-yl)-amide
- IUPAC
- 4-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
- 영어명
- 1-hydroxy-N-(5-methylthiazol-2-yl)-3-oxo-3,5,6,7-tetrahydropyrido[3,2,1-ij]quinoline-2-carboxamide
- 분자식
- C17H15N3O3S
- 분자량
- 341.38
이름 및 동의어
ChemDiv1_016875Oprea1_291950Oprea1_422763MLS000072812CHEMBL1468628HMS634P01HMS2189F16STL039599AKOS000626528AKOS005692953CCG-200702SMR000012052
이름 더 보기
1H,5H-Benzo[ij]quinolizine-6-carboxamide, 2,3-dihydro-7-hydroxy-N-(5-methyl-2-thiazolyl)-5-oxo-
EU-0032357SR-01000588842SR-01000588842-11-Hydroxy-3-oxo-6,7-dihydro-3H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid (5-methyl-thiazol-2-yl)-amide1-hydroxy-N-(5-methylthiazol-2-yl)-3-oxo-3,5,6,7-tetrahydropyrido[3,2,1-ij]quinoline-2-carboxamide3-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxamide7-HYDROXY-N-(5-METHYL-1,3-THIAZOL-2-YL)-5-OXO-2,3-DIHYDRO-1H,5H-PYRIDO[3,2,1-IJ]QUINOLINE-6-CARBOXAMIDE
데이터베이스 식별자
- CAS
377057-78-8- PubChem CID
- 54683758
- ChEMBL
CHEMBL1468628- EC Number
- 125-719-8
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 111 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 594
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