기본 정보
- CAS
228726-59-8- 표준 SMILES
O=C(NCc1ccc(Cl)cc1)c1c[nH]c2ccc(C#CCO)cc2c1=O- InChIKey
LHCASPYXLIAHLU-UHFFFAOYSA-N- 분자식
- C20H15ClN2O3
- 평균 분자량
- 366.8 g/mol
- 단동위원소 질량
- 366.07712
이름 및 식별자
- 우선 이름
- N-(4-Chlorobenzyl)-4-hydroxy-6-(3-hydroxy-1-propynyl)-3-quinolinecarboxamide
- IUPAC
- N-[(4-chlorophenyl)methyl]-6-(3-hydroxyprop-1-ynyl)-4-oxo-1H-quinoline-3-carboxamide
이름 및 동의어
PNU-181128BR9VDR3HHBN-(4-Chlorobenzyl)-4-hydroxy-6-(3-hydroxy-1-propynyl)-3-quinolinecarboxamidePNU181128228726-59-83-Quinolinecarboxamide, N-((4-chlorophenyl)methyl)-4-hydroxy-6-(3-hydroxy-1-propyn-1-yl)-3-Quinolinecarboxamide, N-((4-chlorophenyl)methyl)-4-hydroxy-6-(3-hydroxy-1-propynyl)-N-((4-Chlorophenyl)methyl)-4-hydroxy-6-(3-hydroxyprop-1-yn-1-yl)quinoline-3-carboxamideUNII-BR9VDR3HHBCHEMBL473690SCHEMBL6197455LHCASPYXLIAHLU-UHFFFAOYSA-N
이름 더 보기
N-(4-chlorobenzyl)-4-hydroxy -6-(3-hydroxy-1-propynyl)-3-quinolinecarboxamideN-[(4-chlorophenyl)methyl]-4-hydroxy-6-(3-hydroxyprop-1-ynyl)quinoline-3-carboxamideN-[(4-Chlorophenyl)methyl][4-hydroxy-6-(3-hydroxyprop-1-ynyl)(3-quinolyl)]carboxamide
데이터베이스 식별자
- CAS
228726-59-8- PubChem CID
- 484046
- ChEMBL
CHEMBL473690- UNII
- BR9VDR3HHB
- Nikkaji
- J1.689.938K
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 78.4 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 640
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