기본 정보
- 표준 SMILES
CN(CCO)Cc1ccc2c(c1)c(=O)c(C(=O)NCc1ccc(Cl)cc1)cn2C- InChIKey
KNXRWEIEOIHEDI-UHFFFAOYSA-N- 분자식
- C22H24ClN3O3
- 평균 분자량
- 413.9 g/mol
이름 및 식별자
- 우선 이름
- N-[(4-chlorophenyl)methyl]-6-[[2-hydroxyethyl(methyl)amino]methyl]-1-methyl-4-oxo-quinoline-3-carboxamide
- IUPAC
- N-[(4-chlorophenyl)methyl]-6-[[2-hydroxyethyl(methyl)amino]methyl]-1-methyl-4-oxoquinoline-3-carboxamide
이름 및 동의어
SCHEMBL6700119KNXRWEIEOIHEDI-UHFFFAOYSA-N3-Quinolinecarboxamide, N-[(4-chlorophenyl)methyl]-1,4-dihydro-6-[[(2-hydroxyethyl)methylamino]methyl]-1-methyl-4-oxo-N-(4-Chlorobenzyl)-6-(((2-hydroxyethyl)(methyl)amino)-methyl)-1-methyl-4-oxo-1,4-dihydro-3-quinolinecarboxamideN-[(4-chlorophenyl)methyl]-6-[[2-hydroxyethyl(methyl)amino]methyl]-1-methyl-4-oxo-quinoline-3-carboxamide
데이터베이스 식별자
- PubChem CID
- 16073861
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 72.9 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 618
관련 반응
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