3-carboethoxy-2-trifluoromethyl-2-hydroxy-4-(3-nitrophenyl)-4,6,7,8-tetrahydro-5(1H)-quinolone

HCID 19958905

기본 정보

표준 SMILES
CCOC(=O)C1C(c2cccc([N+](=O)[O-])c2)C2=C(CCCC2=O)NC1(O)C(F)(F)F
InChIKey
KWBXZKWQCUQYIF-UHFFFAOYSA-N
분자식
C19H19F3N2O6
평균 분자량
428.4 g/mol

이름 및 식별자

우선 이름
3-carboethoxy-2-trifluoromethyl-2-hydroxy-4-(3-nitrophenyl)-4,6,7,8-tetrahydro-5(1H)-quinolone
IUPAC
ethyl 2-hydroxy-4-(3-nitrophenyl)-5-oxo-2-(trifluoromethyl)-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate

이름 및 동의어

3-carboethoxy-2-trifluoromethyl-2-hydroxy-4-(3-nitrophenyl)-4,6,7,8-tetrahydro-5(1H)-quinoloneSCHEMBL78383853-carboethoxy-2-trifluoromethyl-2-hydroxy-4(3-nitrophenyl)-2,3,4,6,7,8-hexahydro-5(1H)-quinolone3-carboethoxy-2-trifluoromethyl-2-hydroxy-4-(3-nitrophenyl) -4,6,7,8-tetrahydro-5(1H)-quinolone3-carboethoxy-2-trifluoromethyl-2-hydroxy-4-(3-nitrophenyl)-2,3,4,6,7,8-hexahydro-5(1H)-quinolone

데이터베이스 식별자

PubChem CID
19958905

물성

구조 계산 물성

XLogP
3.1
극성 표면적
121 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
10
회전 가능 결합 수
4
무거운 원자 수
30

관련 반응

5건

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