8-((4-Amino-1-methylbutyl)amino)-5-(3,4-dichlorophenoxy)-6-methoxy-4-methylquinoline

HCID 473589
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기본 정보

표준 SMILES
COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1ccc(Cl)c(Cl)c1
InChIKey
UEFVAUCKVCFRDW-UHFFFAOYSA-N
분자식
C22H25Cl2N3O2
평균 분자량
434.4 g/mol

개요

has antimalarial activity; NPC 1161C is the succinate salt; structure in first source

이름 및 식별자

우선 이름
8-((4-Amino-1-methylbutyl)amino)-5-(3,4-dichlorophenoxy)-6-methoxy-4-methylquinoline
IUPAC
4-N-[5-(3,4-dichlorophenoxy)-6-methoxy-4-methylquinolin-8-yl]pentane-1,4-diamine

이름 및 동의어

8-((4-Amino-1-methylbutyl)amino)-5-(3,4-dichlorophenoxy)-6-methoxy-4-methylquinoline8-[(4-amino-1-methylbutyl)amino]-5-(3,4-dichlorophenoxy)-6-methoxy-4-methylquinolineRefChem:914465CHEMBL534756SCHEMBL3856309UEFVAUCKVCFRDW-UHFFFAOYSA-NBDBM50364483NSC727822NSC-7278224-[[4-Methyl-5-(3,4-dichlorophenoxy)-6-methoxyquinoline-8-yl]amino]-1-pentaneamine4-N-[5-(3,4-dichlorophenoxy)-6-methoxy-4-methylquinolin-8-yl]pentane-1,4-diamineDN3 27-1
이름 더 보기
1,4-Pentanediamine, N4-[5-(3,4-dichlorophenoxy)-6-methoxy-4-methyl-8-quinolinyl]-N4-[5-(3,4-dichlorophenoxy)-6-methoxy-4-methyl-8-quinolyl]pentane-1,4-diamine(+/-)-8-[(4-Amino-1-methylbutyl)amino]-5-(3,4-dichlorophenoxy)-6-methoxy-4-methyl-quinoline

데이터베이스 식별자

PubChem CID
473589
ChEMBL
CHEMBL534756
Nikkaji
J2.378.352E

물성

구조 계산 물성

XLogP
5.5
극성 표면적
69.4 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
5
회전 가능 결합 수
8
무거운 원자 수
29

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