7-(Benzyloxy)-4-chloro-6-methoxyquinoline

HCID 22646562CAS 286371-49-1

기본 정보

표준 SMILES: COc1cc2c(Cl)ccnc2cc1OCc1ccccc1
InChIKey: SYKLZPMKNBDEOF-UHFFFAOYSA-N
분자식: C17H14ClNO2
평균 분자량: 299.7 g/mol
단동위원소 질량: 299.07130637

이름 및 식별자

우선 이름: 7-(Benzyloxy)-4-chloro-6-methoxyquinoline
IUPAC: 4-chloro-6-methoxy-7-phenylmethoxyquinoline
영어명: 7-Benzyloxy-4-chloro-6-methoxy-quinoline
분자식: C17H14ClNO2
분자량: 299.75

이름 및 동의어

286371-49-17-(benzyloxy)-4-chloro-6-methoxyquinoline7-Benzyloxy-4-chloro-6-methoxyquinoline7-Benzyloxy-4-chloro-6-methoxy-quinolineMFCD129104634-chloro-6-methoxy-7-phenylmethoxyquinolineQUINOLINE, 4-CHLORO-6-METHOXY-7-(PHENYLMETHOXY)-DTXSID806272944-chloro-7-benzyloxy-6-methoxyquinoline4-chloro-7-benzyloxy-6-methoxy-quinolineFT-0726851SCHEMBL371731

이름 더 보기

7-(Benzyloxy)6-Methoxy-7-benzyloxy-4-chloroquinoline4-Chloro-6-methoxy-7-benzyloxyquinoline7- (benzoxy) -4-chloro-6-methoxy quinoline7-Benzyloxy-4-chloro-6-methoxy-quinoline ISO 9001：2015 REACH

SCHEMBL30216650SYKLZPMKNBDEOF-UHFFFAOYSA-NAKOS015920385PB33109AS-18263SY0970727-(benzyloxy)-4-chloro-6-methoxyquinolinCS-0050129

데이터베이스 식별자

CAS: 286371-49-1
PubChem CID: 22646562
DTXSID: DTXSID80627294

물성

구조 계산 물성

XLogP: 4.3
극성 표면적: 31.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 21
형식 전하: 0
복잡도: 322

물리화학적 성질

끓는 점: 434.8 · 434.8±40.0 °C(Predicted)
밀도: 1.262 · 1.262
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 3.92 · 3.92±0.30(Predicted)
InChI: InChI=1S/C17H14ClNO2/c1-20-16-9-13-14(18)7-8-19-15(13)10-17(16)21-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKey: SYKLZPMKNBDEOF-UHFFFAOYSA-N
SMILES: N1C2C(=CC(OC)=C(OCC3=CC=CC=C3)C=2)C(Cl)=CC=1