기본 정보
- 표준 SMILES
O=C(NC(Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)C(=O)O)c1c(Cl)cccc1Cl- InChIKey
DAFPGIVZPJVMTQ-UHFFFAOYSA-N- 분자식
- C25H16Cl4N2O3
- 평균 분자량
- 534.2 g/mol
개요
N-(2,6-dichlorobenzoyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alanine is an alanine derivative that is alanine substituted by a 2,6-dichlorobenzoyl group at the N and a 2-(2,6-dichlorophenyl)-6-quinolyl group at position 3. It is a dichlorobenzene, a member of quinolines and a N-acyl-amino acid. It contains a 2,6-dichlorobenzoyl group.
이름 및 식별자
- 우선 이름
- N-(2,6-dichlorobenzoyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alanine
- IUPAC
- 2-[(2,6-dichlorobenzoyl)amino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid
이름 및 동의어
N-(2,6-dichlorobenzoyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alanine2-[(2,6-dichlorobenzoyl)amino]-3-[2-(2,6-dichlorophenyl)-6-quinolinyl]propanoic acidN-(2,6-dichlorobenzoyl)-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]alanineCHEMBL410249SCHEMBL3313373SCHEMBL83522292,6-quinolinyl derivative, 19BDBM17197CHEBI:48459DAFPGIVZPJVMTQ-UHFFFAOYSA-N2-[(2,6-dichlorobenzoyl)amino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic AcidQ27121216
이름 더 보기
2-[(2,6-dichlorophenyl)formamido]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid
데이터베이스 식별자
- PubChem CID
- 10052832
- ChEMBL
CHEMBL410249- ChEBI
CHEBI:48459
물성
구조 계산 물성
- XLogP
- 7.2
- 극성 표면적
- 79.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 708
관련 반응
7건
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