2-methylpropyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
기본 정보
- CAS
329072-22-2- 표준 SMILES
CC1=C(C(=O)OCC(C)C)C(c2ccc3c(c2)OCO3)C2=C(CC(c3ccccc3)CC2=O)N1- InChIKey
ZKLCXQIXWRJBCH-UHFFFAOYSA-N- 분자식
- C28H29NO5
- 평균 분자량
- 459.5 g/mol
이름 및 식별자
- 우선 이름
- 2-methylpropyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
- IUPAC
- 2-methylpropyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
- 영어명
- isobutyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
- 분자식
- C28H29NO5
- 분자량
- 459.53356
이름 및 동의어
2-methylpropyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylateisobutyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylateOprea1_524160Oprea1_824473SCHEMBL3324468STK363577AKOS000658768AKOS021988407CCG-1055782-methylpropyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylateST016978EU-0070367
이름 더 보기
UNM000000537801AG-690/12892822SR-01000422369SR-01000422369-12-METHYLPROPYL 4-(2H-1,3-BENZODIOXOL-5-YL)-2-METHYL-5-OXO-7-PHENYL-1,4,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBOXYLATE2-methylpropyl 4-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-2-methyl-5-oxo-7-phenyl-1, 4,6,7,8-pentahydroquinoline-3-carboxylate329072-22-2isobutyl 4-(benzo[d][1,3]dioxol-5-yl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
데이터베이스 식별자
- CAS
329072-22-2
물성
구조 계산 물성
- XLogP
- 5
- 극성 표면적
- 73.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 868
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