기본 정보
- CAS
150907-43-0- 표준 SMILES
CCOC(=O)CCC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C- InChIKey
HPXFYCXZUAIFJM-UHFFFAOYSA-N- 분자식
- C23H24N2O4
- 평균 분자량
- 392.4 g/mol
- 단동위원소 질량
- 392.17360725
개요
structure given in first source
이름 및 식별자
- 우선 이름
- 3-(3-(Ethoxycarbonyl)propionyl)-8-methoxy-4-((2-methylphenyl)amino)quinoline
- IUPAC
- ethyl 4-[8-methoxy-4-(2-methylanilino)quinolin-3-yl]-4-oxobutanoate
- 영어명
- 3-(3-(ethoxycarbonyl)propionyl)-8-methoxy-4-((2-methylphenyl)amino)quinoline
- 분자식
- C23H24N2O4
- 분자량
- 392.45
이름 및 동의어
150907-43-03-(3-(Ethoxycarbonyl)propionyl)-8-methoxy-4-((2-methylphenyl)amino)quinolineCP 113411CP-113411CP 113,411DTXSID401646503-Quinolinebutanoic acid, 8-methoxy-4-((2-methylphenyl)amino)-gamma-oxo-, ethyl esterRefChem:92286DTXCID6087141ethyl 4-[8-methoxy-4-(2-methylanilino)quinolin-3-yl]-4-oxobutanoateEthyl 4-(8-methoxy-4-(o-tolylamino)quinolin-3-yl)-4-oxobutanoateHPXFYCXZUAIFJM-UHFFFAOYSA-N
이름 더 보기
3-Quinolinebutanoic acid, 8-methoxy-4-[(2-methylphenyl)amino]-γ-oxo-, ethyl ester
CHEMBL95060SCHEMBL9318536CP-113,4113-(3-ethoxycarbonylpropionyl)-8-methoxy-4-(2-methylphenylamino)-quinoline3-(3-ethoxycarbonylpropionyl)-8-methoxy-4-(2-methylphenylamino)quinoline
데이터베이스 식별자
- CAS
150907-43-0- PubChem CID
- 192494
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 77.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 555
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationCompounds that inhibit H(+)-K(+)-EXCHANGING ATPASE. They are used as ANTI-ULCER AGENTS and sometimes in place of HISTAMINE H2 ANTAGONISTS for GASTROESOPHAGEAL REFLUX.
공급사1 곳
CHEMICAL LAND21[email protected]
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