N-[(4-chlorophenyl)methyl]-8-(4-hydroxypent-1-ynyl)-1-methyl-6-(morpholinomethyl)-4-oxo-quinoline-3-carboxamide

HCID 5278423
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기본 정보

표준 SMILES
CC(O)CC#Cc1cc(CN2CCOCC2)cc2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cn(C)c12
InChIKey
MKITVSKAOUHTMH-UHFFFAOYSA-N
분자식
C28H30ClN3O4
평균 분자량
508 g/mol
단동위원소 질량
507.1924841

이름 및 식별자

우선 이름
N-[(4-chlorophenyl)methyl]-8-(4-hydroxypent-1-ynyl)-1-methyl-6-(morpholinomethyl)-4-oxo-quinoline-3-carboxamide
IUPAC
N-[(4-chlorophenyl)methyl]-8-(4-hydroxypent-1-ynyl)-1-methyl-6-(morpholin-4-ylmethyl)-4-oxoquinoline-3-carboxamide

이름 및 동의어

SCHEMBL6788925MKITVSKAOUHTMH-UHFFFAOYSA-N3-Quinolinecarboxamide, N-[(4-chlorophenyl)methyl]-1,4-dihydro-8-(4-hydroxy-1-pentynyl)-1-methyl-6-(4-morpholinylmethyl)-4-oxo-N-(4-chlorobenzyl)-8-(4-hydroxypent-1-ynyl)-1-methyl-6-(morpholin-4-ylmethyl)-4-oxo-1,4-dihydroquinoline-3-carboxamideN-[(4-chlorophenyl)methyl]-8-(4-hydroxypent-1-ynyl)-1-methyl-6-(morpholinomethyl)-4-oxo-quinoline-3-carboxamide

데이터베이스 식별자

PubChem CID
5278423

물성

구조 계산 물성

XLogP
3.7
극성 표면적
82.1 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
6
회전 가능 결합 수
7
무거운 원자 수
36

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