CAS 179688-01-8 7-Benzyloxy-6-methoxy-3H-quinazolin-4-one (HCID 135404718)

기본 정보

CAS: 179688-01-8
표준 SMILES: COc1cc2c(=O)[nH]cnc2cc1OCc1ccccc1
InChIKey: ZCUFFSHMOAEEIL-UHFFFAOYSA-N
분자식: C16H14N2O3
평균 분자량: 282.29 g/mol
단동위원소 질량: 282.10044231

이름 및 식별자

우선 이름: 7-Benzyloxy-6-methoxy-3H-quinazolin-4-one
IUPAC: 6-methoxy-7-phenylmethoxy-3H-quinazolin-4-one
현지명: 6-메톡시-7-벤질옥시퀴나졸린-4-온
영어명: 6-Methoxy-7-benzyloxyquinazolin-4-one
분자식: C16H14N2O3
분자량: 282.29

이름 및 동의어

7-Benzyloxy-6-methoxy-3H-quinazolin-4-oneRefChem:545523807-946-0179688-01-87-(benzyloxy)-6-methoxyquinazolin-4(3H)-one6-METHOXY-7-BENZYLOXYQUINAZOLIN-4-ONE7-(benzyloxy)-6-methoxyquinazolin-4-ol7-Benzyloxy-6-methoxyquinazolin-4-ol7-(Benzyloxy)-6-methoxyquinazolin-4(1H)-one6-methoxy-7-phenylmethoxy-3H-quinazolin-4-one4(3H)-QUINAZOLINONE, 6-METHOXY-7-(PHENYLMETHOXY)-MFCD04115119

이름 더 보기

6-메톡시-7-벤질옥시퀴나졸린-4-온SKL323CEDI-0077-Benzyloxy-6-methoxyquinazolin-4-one6-methoxy-7-benzyloxyquinazoline-4-one7-Benzyloxy-6-methoxy-3H-quizolin-4-one6-methoxy-7-benzoxyquinazoline-4-ketone

7-BENZYLOXY-6-METHOXY-4(3H)-QUINAZOLINONE7-(benzyloxy)-6-methoxy-4(3H)-quinazolinone7-Benzyloxy-6-methoxy-4-quinazolinolCCG-3514207-benzyloxy-6-methoxy-3,4 dihydroquinazolin-4-oneF9995-01147-(benzyloxy)-6-methoxy-1,4-dihydroquinazolin-4-one7-benzyloxy-6-methoxy

데이터베이스 식별자

CAS: 179688-01-8
PubChem CID: 135404718
DTXSID: DTXSID00441530
ChEMBL: CHEMBL4938606
EC Number: 807-946-0
Nikkaji: J2.231.776H

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 59.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 21
형식 전하: 0
복잡도: 393

물리화학적 성질

녹는점: 266 °C · 266 °C
끓는 점: 475.4 · 475.4±55.0 °C(Predicted)
밀도: 1.26 · 1.26±0.1 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 1.43 · 1.43±0.20(Predicted)
색상: 흰색에서 거의 흰색
InChI: InChI=1S/C16H14N2O3/c1-20-14-7-12-13(17-10-18-16(12)19)8-15(14)21-9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,17,18,19)
InChIKey: ZCUFFSHMOAEEIL-UHFFFAOYSA-N
SMILES: N1C2=C(C=C(OC)C(OCC3=CC=CC=C3)=C2)C(=O)NC=1