N-(4-Chlorobenzyl)-6-{[(2-hydroxy-2-phenylethyl)(methyl)-amino]methyl}-1-methyl-4-oxo-1,4-dihydro-3quinolinecarboxamide

HCID 21192531
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CN(Cc1ccc2c(c1)c(=O)c(C(=O)NCc1ccc(Cl)cc1)cn2C)CC(O)c1ccccc1
InChIKey
VTDAHGYPQMUEJV-UHFFFAOYSA-N
분자식
C28H28ClN3O3
평균 분자량
490 g/mol
단동위원소 질량
489.1819195

이름 및 식별자

우선 이름
N-(4-Chlorobenzyl)-6-{[(2-hydroxy-2-phenylethyl)(methyl)-amino]methyl}-1-methyl-4-oxo-1,4-dihydro-3quinolinecarboxamide
IUPAC
N-[(4-chlorophenyl)methyl]-6-[[(2-hydroxy-2-phenylethyl)-methylamino]methyl]-1-methyl-4-oxoquinoline-3-carboxamide

이름 및 동의어

SCHEMBL6698592VTDAHGYPQMUEJV-UHFFFAOYSA-NN-(4-Chlorobenzyl)-6-{[(2-hydroxy-2-phenylethyl)(methyl)-amino]methyl}-1-methyl-4-oxo-1,4-dihydro-3quinolinecarboxamide

데이터베이스 식별자

PubChem CID
21192531

물성

구조 계산 물성

XLogP
4.5
극성 표면적
72.9 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
5
회전 가능 결합 수
8
무거운 원자 수
35

관련 반응

2건
반응 기록 만들기

연결된 노트

불러오는 중…

N-(4-Chlorobenzyl)-6-{[(2-hydroxy-2-phenylethyl)(methyl)-amino]methyl}-1-methyl-4-oxo-1,4-dihydro-3quinolinecarboxamide (HCID 21192531)｜Huagongshe