기본 정보
- CAS
709625-37-6- 표준 SMILES
COc1cccc(-c2cc(C(=O)NCC3CCCO3)c3cc(Br)cc(C)c3n2)c1- InChIKey
TWQJKNMFDWEOBT-UHFFFAOYSA-N- 분자식
- C23H23BrN2O3
- 평균 분자량
- 455.3 g/mol
이름 및 식별자
- 우선 이름
- 6-bromo-2-(3-methoxyphenyl)-8-methyl-N-(tetrahydro-2-furanylmethyl)-4-quinolinecarboxamide
- IUPAC
- 6-bromo-2-(3-methoxyphenyl)-8-methyl-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
- 영어명
- 6-bromo-2-(3-methoxyphenyl)-8-methyl-N-(tetrahydro-2-furanylmethyl)-4-quinolinecarboxamide
- 분자식
- C23H23BrN2O3
- 분자량
- 455.34432
이름 및 동의어
MLS0012399896-bromo-2-(3-methoxyphenyl)-8-methyl-N-(tetrahydro-2-furanylmethyl)-4-quinolinecarboxamideSMR0006732756-bromo-2-(3-methoxyphenyl)-8-methyl-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide6-bromo-2-(3-methoxyphenyl)-8-methyl-N-(tetrahydrofuran-2-ylmethyl)quinoline-4-carboxamideCHEMBL1527660BDBM58725cid_3772745HMS2985J06STK253448AKOS003333151AKOS022071155
이름 더 보기
ST50900905AK-918/428292996-bromo-2-(3-methoxyphenyl)-8-methyl-N-(tetrahydrofurfuryl)cinchoninamide[6-bromo-2-(3-methoxyphenyl)-8-methyl(4-quinolyl)]-N-(oxolan-2-ylmethyl)carbox amide6-bromanyl-2-(3-methoxyphenyl)-8-methyl-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide6-bromo-2-(3-methoxyphenyl)-8-methyl-N-(2-oxolanylmethyl)-4-quinolinecarboxamide
데이터베이스 식별자
- CAS
709625-37-6- ChEMBL
CHEMBL1527660
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 60.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 562
실험 및 물리화학적 성질
Solubility<0.5 [ug/mL] (The mean of the results at pH 7.4)
화학 및 산업
공급사1 곳
SPECS[email protected]
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