N-[(4-chlorophenyl)methyl]-1-methyl-6-(1,4-oxazepan-4-ylmethyl)-4-oxo-quinoline-3-carboxamide (HCID 16073862)

기본 정보

표준 SMILES: Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CN3CCCOCC3)ccc21
InChIKey: ZYBMINZACUVBHD-UHFFFAOYSA-N
분자식: C24H26ClN3O3
평균 분자량: 439.9 g/mol

이름 및 식별자

우선 이름: N-[(4-chlorophenyl)methyl]-1-methyl-6-(1,4-oxazepan-4-ylmethyl)-4-oxo-quinoline-3-carboxamide
IUPAC: N-[(4-chlorophenyl)methyl]-1-methyl-6-(1,4-oxazepan-4-ylmethyl)-4-oxoquinoline-3-carboxamide

이름 및 동의어

SCHEMBL6696197ZYBMINZACUVBHD-UHFFFAOYSA-N3-Quinolinecarboxamide, N-[(4-chlorophenyl)methyl]-1,4-dihydro-1-methyl-4-oxo-6-[(tetrahydro-1,4-oxazepin-4(5H)-yl)methyl]-N-(4-Chlorobenzyl)-1-methyl-6-(1,4-oxazepan-4-ylmethyl)-4-oxo-1,4-dihydro-3-quinolinecarboxamideN-[(4-chlorophenyl)methyl]-1-methyl-6-(1,4-oxazepan-4-ylmethyl)-4-oxo-quinoline-3-carboxamide

데이터베이스 식별자

PubChem CID: 16073862

물성

구조 계산 물성

XLogP: 3.7
극성 표면적: 61.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 5
무거운 원자 수: 31
형식 전하: 0
복잡도: 677

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