1-(2-Methylphenyl)-4-methylamino-6-methyl-2,3-dihydropyrrolo(3,2-c)quinoline
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기본 정보
- CAS
122456-37-5- 표준 SMILES
CNc1nc2c(C)cccc2c2c1CCN2c1ccccc1C- InChIKey
XZENCZPCSRXPSL-UHFFFAOYSA-N- 분자식
- C20H21N3
- 평균 분자량
- 303.4 g/mol
- 단동위원소 질량
- 303.17354767
개요
a K+-competitive fluorescent inhibitor of the H,K-ATPase; structure given in first source
이름 및 식별자
- 우선 이름
- 1-(2-Methylphenyl)-4-methylamino-6-methyl-2,3-dihydropyrrolo(3,2-c)quinoline
- IUPAC
- N,6-dimethyl-1-(2-methylphenyl)-2,3-dihydropyrrolo[3,2-c]quinolin-4-amine
- 영어명
- 1-(2-methylphenyl)-4-methylamino-6-methyl-2,3-dihydropyrrolo(3,2-c)quinoline
- 분자식
- C20H21N3
- 분자량
- 303.4
이름 및 동의어
1-MdpqSkf 96356122456-37-51-(2-Methylphenyl)-4-methylamino-6-methyl-2,3-dihydropyrrolo(3,2-c)quinolineSK&F 96356DTXSID201536231-(2-methylphenyl)-4-methylamino-6-methyl-2,3-dihydropyrrolo[3,2-c]quinolineRefChem:74194DTXCID6076114SK&F-96356CHEMBL545111H-Pyrrolo(3,2-c)quinolin-4-amine, 2,3-dihydro-N,6-dimethyl-1-(2-methylphenyl)-
이름 더 보기
1H-Pyrrolo[3,2-c]quinolin-4-amine, 2,3-dihydro-N,6-dimethyl-1-(2-methylphenyl)-
XZENCZPCSRXPSL-UHFFFAOYSA-NSCHEMBL9685793SCHEMBL29493309SCHEMBL30862858BDBM500006751-(2-methylphenyl)-4-methylamino-6-methyl-2,3-dihydropyrrolo(3,2-c) quinolineMethyl-(6-methyl-1-o-tolyl-2,3-dihydro-1H-pyrrolo[3,2-c]quinolin-4-yl)-amineN,6-Dimethyl-1-(2-methylphenyl)-2,3-dihydro-1H-pyrrolo[3,2-c]quinolin-4-amine
데이터베이스 식별자
- CAS
122456-37-5- PubChem CID
- 3081211
- DTXSID
DTXSID20153623- ChEMBL
물성
구조 계산 물성보충 중
- XLogP
- 5
- 극성 표면적
- 28.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 412
물리화학적 성질
- 끓는 점
- 509.8 · 509.8±50.0 °C(Predicted)
- 밀도
- 1.198 · 1.198±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.95 · 9.95±0.20(Predicted)
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.
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