2-사이클로프로필-4-(4-플루오로페닐)퀴놀린-3-카복스알데하이드

2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinecarboxaldehyde

HCID 9947974

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 121660-37-5
표준 SMILES: O=Cc1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1
InChIKey: JAHBIRPTCXOGLB-UHFFFAOYSA-N
분자식: C19H14FNO
평균 분자량: 291.3 g/mol
단동위원소 질량: 291.10594223

이름 및 식별자

우선 이름: 2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinecarboxaldehyde
IUPAC: 2-cyclopropyl-4-(4-fluorophenyl)quinoline-3-carbaldehyde
현지명: 2-사이클로프로필-4-(4-플루오로페닐)퀴놀린-3-카복스알데하이드
영어명: 2-Cyclopropyl-4-(4-fluorophenyl)quinoline-3-carboxaldehyde
분자식: C19H14FNO
분자량: 291.32

이름 및 동의어

121660-37-52-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinecarboxaldehydeRefChem:10629522-cyclopropyl-4-(4-fluorophenyl)quinoline-3-carbaldehyde2-Cyclopropyl-4-(4-fluorophenyl)quinoline-3-carboxaldehydeMFCD090329253-Quinolinecarboxaldehyde, 2-cyclopropyl-4-(4-fluorophenyl)-Pitavastatin Impurity 58C19H14FNO2-cyclopropyl-3-formyl-4-(4-fluorophenyl)quinoline2-cyclopropyl-4-(4-fluorophenyl)-quinoline-3-carbaldehyde2-Cyclopropyl-4-(4-fluorophenyl)-3-quinoline-d53-Aldehyde

이름 더 보기

2-사이클로프로필-4-(4-플루오로페닐)퀴놀린-3-카복스알데하이드Pitavastatin Impurity 1022-cyclopropyl-4-(4-fluorophenyl)-3-formylquinoline3-MethylBr- 2-Cyclopropyl-4-(4-Fluorophenyl) -Quinolyl2-Cyclopropyl-4-(4-fluoropenyl)v-quinolyl-3-carboxaldehyde2-cyclopropyl-4-(4-fluorophenyl)-quinolyl-3-carboxaldehyde4-(4-FLUOROPHENYL)-2-(CYCLOPROPYL)-3-QUINOLINECARBOXALDEHYDE

677763-20-1Pitavastatin Formyl ImpuritySCHEMBL244423SCHEMBL29419163DTXSID10433224JAHBIRPTCXOGLB-UHFFFAOYSA-N2-cyclopropyl-4-(4-fluoro-phenyl)-quinoline-3-carbaldehydeAKOS015840794

데이터베이스 식별자

CAS: 121660-37-5
PubChem CID: 9947974
DTXSID: DTXSID10433224
EC Number: 601-798-9
Nikkaji: J1.195.492H

물성

구조 계산 물성

XLogP: 4
극성 표면적: 30 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 22
형식 전하: 0
복잡도: 402

물리화학적 성질

녹는점: 150 · 150-152°C
끓는 점: 453.9 · 453.9±45.0 °C(Predicted)
밀도: 1.289 · 1.289±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 3.69 · 3.69±0.50(Predicted)
물리적 상태: 고체
색상: 옅은 노랑
InChI: InChI=1S/C19H14FNO/c20-14-9-7-12(8-10-14)18-15-3-1-2-4-17(15)21-19(13-5-6-13)16(18)11-22/h1-4,7-11,13H,5-6H2
InChIKey: JAHBIRPTCXOGLB-UHFFFAOYSA-N
SMILES: N1C2C(=CC=CC=2)C(C2=CC=C(F)C=C2)=C(C=O)C=1C1CC1