N-[(4-chlorophenyl)methyl]-1-(2-diethylaminoethyl)-8-fluoro-6-(3-hydroxyprop-1-ynyl)-4-oxo-quinoline-3-carboxamide
기본 정보
- 표준 SMILES
CCN(CC)CCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(C#CCO)cc(F)c21- InChIKey
KDMLOMHBSGBEAJ-UHFFFAOYSA-N- 분자식
- C26H27ClFN3O3
- 평균 분자량
- 484 g/mol
이름 및 식별자
- 우선 이름
- N-[(4-chlorophenyl)methyl]-1-(2-diethylaminoethyl)-8-fluoro-6-(3-hydroxyprop-1-ynyl)-4-oxo-quinoline-3-carboxamide
- IUPAC
- N-[(4-chlorophenyl)methyl]-1-[2-(diethylamino)ethyl]-8-fluoro-6-(3-hydroxyprop-1-ynyl)-4-oxoquinoline-3-carboxamide
이름 및 동의어
SCHEMBL6699984KDMLOMHBSGBEAJ-UHFFFAOYSA-N3-Quinolinecarboxamide, N-[(4-chlorophenyl)methyl]-1-[2-(diethylamino)ethyl]-8-fluoro-1,4-dihydro-6-(3-hydroxy-1-propynyl)-4-oxo-N-(4-Chlorobenzyl)-1-[2-(diethylamino)ethyl]-8-fluoro-6-(3-hydroxy-1-propynyl)-4-oxo-1,4-dihydro-3-quinolinecarboxamideN-[(4-chlorophenyl)methyl]-1-(2-diethylaminoethyl)-8-fluoro-6-(3-hydroxyprop-1-ynyl)-4-oxo-quinoline-3-carboxamide
데이터베이스 식별자
- PubChem CID
- 16073830
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 72.9 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 811
관련 반응
1건
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