기본 정보
- CAS
402855-07-6- 표준 SMILES
O=[N+]([O-])c1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@@H]1CCOC1- InChIKey
UXAZURVGMXJLSO-LLVKDONJSA-N- 분자식
- C18H14ClFN4O4
- 평균 분자량
- 404.8 g/mol
- 단동위원소 질량
- 404.0687608
이름 및 식별자
- 우선 이름
- (R)-N-(3-Chloro-4-fluorophenyl)-6-nitro-7-((tetrahydrofuran-3-yl)oxy)quinazolin-4-amine
- IUPAC
- N-(3-chloro-4-fluorophenyl)-6-nitro-7-[(3R)-oxolan-3-yl]oxyquinazolin-4-amine
- 영어명
- 4-QuinazolinaMine, N-(3-chloro-4-fluorophenyl)-6-nitro-7-[[(3R)-tetrahydro-3-furanyl]oxy]-
- 분자식
- C18H14ClFN4O4
- 분자량
- 404.78
이름 및 동의어
402855-07-6(R)-N-(3-Chloro-4-fluorophenyl)-6-nitro-7-((tetrahydrofuran-3-yl)oxy)quinazolin-4-amine4-QuinazolinaMine, N-(3-chloro-4-fluorophenyl)-6-nitro-7-[[(3R)-tetrahydro-3-furanyl]oxy]-Afatinib Impurity 68Afatinib Impurity AN-(3-chloro-4-fluorophenyl)-6-nitro-7-[(3R)-oxolan-3-yl]oxyquinazolin-4-amineN-(3-chloro-4-fluorophenyl)-6-nitro-7-[(3R)-oxolan-3-yloxy]quinazolin-4-amineSCHEMBL1191541UXAZURVGMXJLSO-LLVKDONJSA-NAKOS030525402X5337A22C5CS-0164320
이름 더 보기
Afatinib M6-Nitro-4-[(3-chloro-4-fluorophenyl)amino]-7-[(R)-(tetrahydr...Afatinib impurity 20/4-QuinazolinaMine,N-(3-chloro-4-fluorophenyl)-6-nitro-7-[[(3R)-tetrahydro-3-furanyl]oxy]-
4-[(3-chloro-4-fluorophenyl)amino]-6-nitro-7-((R)-tetrahydrofuran-3-yloxy)quinazolineN-(3-Chloro-4-fluorophenyl)-6-nitro-7-[[(3R)-tetrahydro-3-furanyl]oxy]-4-quinazolinamine(R)-N-(3-Chloro-4-fluorophenyl)-6-nitro-7-((tetrahydrofuran-3-yl)oxy)quinazolin-4-amine (Afatinib Impurity)
데이터베이스 식별자
- CAS
402855-07-6- PubChem CID
- 66936816
- UNII
- X5337A22C5
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 102 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 556
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