8-(2,6-Dichloro-3,5-dimethoxy-phenyl)-2,3-dimethyl-quinoxaline-5-carboxylic acid [5-(4-methyl-piperazin-1-ylmethyl)-pyridin-2-yl]-amide

HCID 59292855

기본 정보

표준 SMILES
COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3ccc(CN4CCN(C)CC4)cn3)c3nc(C)c(C)nc23)c1Cl
InChIKey
QVHRLAQYPAUDKQ-UHFFFAOYSA-N
분자식
C30H32Cl2N6O3
평균 분자량
595.5 g/mol
단동위원소 질량
594.1912943

이름 및 식별자

우선 이름
8-(2,6-Dichloro-3,5-dimethoxy-phenyl)-2,3-dimethyl-quinoxaline-5-carboxylic acid [5-(4-methyl-piperazin-1-ylmethyl)-pyridin-2-yl]-amide
IUPAC
8-(2,6-dichloro-3,5-dimethoxyphenyl)-2,3-dimethyl-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide

이름 및 동의어

SCHEMBL1126200CHEMBL3653119QVHRLAQYPAUDKQ-UHFFFAOYSA-NBDBM102533US8536175, 1228-(2,6-Dichloro-3,5-dimethoxy-phenyl)-2,3-dimethyl-quinoxaline-5-carboxylic acid [5-(4-methyl-piperazin-1-ylmethyl)-pyridin-2-yl]-amide8-(2,6-Dichloro-3,5-dimethoxy-phenyl)-2,3-dimethyl-quinoxaline-5-carboxylic acid [5-(4-methyl-piperazin-1-ylmethyl)-pyridin-2-yl]amide

데이터베이스 식별자

PubChem CID
59292855
ChEMBL
CHEMBL3653119

물성

구조 계산 물성

XLogP
4.6
극성 표면적
92.7 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
8
회전 가능 결합 수
7
무거운 원자 수
41

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