2-(Trifluoromethyl)-4-(3-cyanophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylic acid

HCID 10193758

기본 정보

표준 SMILES
N#Cc1cccc(C2C3=C(CCCC3=O)NC(C(F)(F)F)=C2C(=O)O)c1
InChIKey
YGDGIAUJXPSGEC-UHFFFAOYSA-N
분자식
C18H13F3N2O3
평균 분자량
362.3 g/mol

이름 및 식별자

우선 이름
2-(Trifluoromethyl)-4-(3-cyanophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylic acid
IUPAC
4-(3-cyanophenyl)-5-oxo-2-(trifluoromethyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid

이름 및 동의어

SCHEMBL59927282-(Trifluoromethyl)-4-(3-cyanophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylic acid4-(3-cyanophenyl)-5-oxo-2-(trifluoromethyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylic acidPD069272(-)-4-(3-cyanophenyl)-2-trifluoromethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylic acid

데이터베이스 식별자

PubChem CID
10193758
Nikkaji
J2.161.817I

물성

구조 계산 물성

XLogP
2.3
극성 표면적
90.2 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
8
회전 가능 결합 수
2
무거운 원자 수
26

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4건

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