1-methyl-piperidine-4-carboxylic Acid {[3-(9-chloro-3-methyl-4-oxo-5H-isoxazolo[4,3-c]quinolin-5-yl)-cyclohexylcarbamoyl]-phenyl-methyl}-amide

HCID 70110228
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기본 정보

표준 SMILES
Cc1onc2c1c(=O)n(C1CCCC(NC(=O)C(NC(=O)C3CCN(C)CC3)c3ccccc3)C1)c1cccc(Cl)c21
InChIKey
MBMYVCRUEGTMAV-UHFFFAOYSA-N
분자식
C32H36ClN5O4
평균 분자량
590.1 g/mol
단동위원소 질량
589.2455823

이름 및 식별자

우선 이름
1-methyl-piperidine-4-carboxylic Acid {[3-(9-chloro-3-methyl-4-oxo-5H-isoxazolo[4,3-c]quinolin-5-yl)-cyclohexylcarbamoyl]-phenyl-methyl}-amide
IUPAC
N-[2-[[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]amino]-2-oxo-1-phenylethyl]-1-methylpiperidine-4-carboxamide

이름 및 동의어

SCHEMBL7497470MBMYVCRUEGTMAV-UHFFFAOYSA-N1-methyl-piperidine-4-carboxylic Acid {[3-(9-chloro-3-methyl-4-oxo-5H-isoxazolo[4,3-c]quinolin-5-yl)-cyclohexylcarbamoyl]-phenyl-methyl }-amide1-methyl-piperidine-4-carboxylic acid {[3-(9-chloro-3-methyl-4-oxo-5H-isoxazolo[4,3-c]quinolin-5-yl)-cyclohexylcarbamoyl]-phenyl-methyl}-amide1-methyl-piperidine4-carboxylic acid {[3-(9-chloro-3-methyl-4-oxo-5H-isoxazolo[4,3-c]quinolin-5-yl)-cyclohexylcarbamoyl]-phenyl-methyl }-amide

데이터베이스 식별자

PubChem CID
70110228

물성

구조 계산 물성

XLogP
4.3
극성 표면적
108 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
6
회전 가능 결합 수
6
무거운 원자 수
42

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