8-iodo-1-methyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide (HCID 57444149)

기본 정보

표준 SMILES: Cn1nc(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)c2c1-c1nc(I)ncc1CC2
InChIKey: KGHTWBCROVKZTH-GOSISDBHSA-N
분자식: C23H25IN6O2
평균 분자량: 544.4 g/mol
단동위원소 질량: 544.10837

이름 및 식별자

우선 이름: 8-iodo-1-methyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide
IUPAC: 8-iodo-1-methyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

이름 및 동의어

SCHEMBL4159768KGHTWBCROVKZTH-GOSISDBHSA-N8-iodo-1-methyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-4,5-dihydro-1H pyrazolo[4,3-h]quinazolin-3-carboxamide8-iodo-1-methyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-4,5-dihydro-1H-pyrazolo[4,3-h]quinazolin-3-carboxamide8-iodo-1-methyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide

데이터베이스 식별자

PubChem CID: 57444149

물성

구조 계산 물성

XLogP: 2
극성 표면적: 85.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 5
무거운 원자 수: 32
형식 전하: 0
복잡도: 644

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