5-chloro-3-[(4-methoxyphenyl)methyl]-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-2-one

HCID 66926291CAS 1265634-73-8

기본 정보

표준 SMILES: COc1ccc(CN2Cc3c(Cl)ccnc3NC2=O)cc1
InChIKey: PYIJHTHRVRUNEB-UHFFFAOYSA-N
분자식: C15H14ClN3O2
평균 분자량: 303.74 g/mol

이름 및 식별자

우선 이름: 5-chloro-3-[(4-methoxyphenyl)methyl]-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-2-one
IUPAC: 5-chloro-3-[(4-methoxyphenyl)methyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-one

이름 및 동의어

1265634-73-85-chloro-3-((4-methoxyphenyl)methyl)-1H,2H,3H,4H-pyrido(2,3-d)pyrimidin-2-one5-chloro-3-[(4-methoxyphenyl)methyl]-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-2-oneRefChem:534655988-031-45-CHLORO-3-(4-METHOXYBENZYL)-3,4-DIHYDROPYRIDO[2,3-D]PYRIMIDIN-2(1H)-ONESCHEMBL1160975PYIJHTHRVRUNEB-UHFFFAOYSA-N5-chloro-3-(4-methoxy-benzyl)-3,4-dihydro-1h-pyrido[2,3-d]pyrimidin-2-one5-chloro-3-(4-methoxybenzyI)-3,4-dihydropyrido[2,3-d]pyrimidin-2 (1H)-one5-chloro-3-(4-methoxybenzyl)-3,4-dihydropyrido [2,3-d] pyrimidin-2 (1H)-one

데이터베이스 식별자

CAS: 1265634-73-8
PubChem CID: 66926291
EC Number: 988-031-4

물성

구조 계산 물성

XLogP: 2
극성 표면적: 54.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 21
형식 전하: 0
복잡도: 374

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.