[4-(1-Cyclopropyl-4,4-dimethyl-1,2,3,4-tetrahydro-quinolin-6-yl-ethynyl)-2-fluoro-phenyl] acetic acid ethyl ester

HCID 69548552

기본 정보

표준 SMILES
CCOC(=O)Cc1ccc(C#Cc2ccc3c(c2)C(C)(C)CCN3C2CC2)cc1F
InChIKey
YQQNUACSQPTYAM-UHFFFAOYSA-N
분자식
C26H28FNO2
평균 분자량
405.5 g/mol

이름 및 식별자

우선 이름
[4-(1-Cyclopropyl-4,4-dimethyl-1,2,3,4-tetrahydro-quinolin-6-yl-ethynyl)-2-fluoro-phenyl] acetic acid ethyl ester
IUPAC
ethyl 2-[4-[2-(1-cyclopropyl-4,4-dimethyl-2,3-dihydroquinolin-6-yl)ethynyl]-2-fluorophenyl]acetate

이름 및 동의어

SCHEMBL5736878YQQNUACSQPTYAM-UHFFFAOYSA-N[4-(1-Cyclopropyl-4,4-dimethyl-1,2,3,4-tetrahydro-quinolin-6-yl-ethynyl )-2-fluoro-phenyl]acetic acid ethyl ester[4-(1-Cyclopropyl-4,4-dimethyl-1,2,3,4-tetrahydro-quinolin-6-yl-ethynyl)-2-fluoro-phenyl] acetic acid ethyl ester[4-(1-Cyclopropyl-4,4-dimethyl-1,2,3,4-tetrahydro-quinolin-6-yl-ethynyl)-2-fluoro-phenyl]acetic acid ethyl ester

데이터베이스 식별자

PubChem CID
69548552

물성

구조 계산 물성

XLogP
6.1
극성 표면적
29.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
7
무거운 원자 수
30

관련 반응

15건

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