4-(1-Cyclopropyl-4,4-dimethyl-1,2,3,4-tetrahydro-quinolin-6-yl-ethynyl)-benzoic acid ethyl ester

HCID 69548878

기본 정보

표준 SMILES
CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CCN3C2CC2)cc1
InChIKey
QVBVUFXNZWCLAR-UHFFFAOYSA-N
분자식
C25H27NO2
평균 분자량
373.5 g/mol

이름 및 식별자

우선 이름
4-(1-Cyclopropyl-4,4-dimethyl-1,2,3,4-tetrahydro-quinolin-6-yl-ethynyl)-benzoic acid ethyl ester
IUPAC
ethyl 4-[2-(1-cyclopropyl-4,4-dimethyl-2,3-dihydroquinolin-6-yl)ethynyl]benzoate

이름 및 동의어

345964-71-8SCHEMBL5737868QVBVUFXNZWCLAR-UHFFFAOYSA-NDA-426804-(1-Cyclopropyl-4,4-dimethyl-1,2,3,4-tetrahydro-quinolin-6-yl-ethynyl)-benzoic acid ethvl ester4-(1-Cyclopropyl-4,4-dimethyl-1,2,3,4-tetrahydro-quinolin-6-yl-ethynyl)-benzoic acid ethyl ester4-(1-cyclopropyl-4,4-dimethyl-1,2,3,4-tetrahydro-quinolin-6-ylethynyl)-benzoic acid ethyl ester

데이터베이스 식별자

PubChem CID
69548878

물성

구조 계산 물성

XLogP
6.1
극성 표면적
29.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
6
무거운 원자 수
28

관련 반응

54건

화합물 노트

불러오는 중…

4-(1-Cyclopropyl-4,4-dimethyl-1,2,3,4-tetrahydro-quinolin-6-yl-ethynyl)-benzoic acid ethyl ester (HCID 69548878)|Huagongshe