3-(3-Benzyl-8-trifluoromethyl-quinolin-4-yl)-phenylamine (HCID 11234297)

기본 정보

표준 SMILES: Nc1cccc(-c2c(Cc3ccccc3)cnc3c(C(F)(F)F)cccc23)c1
InChIKey: BFUNVDZECPFRBY-UHFFFAOYSA-N
분자식: C23H17F3N2
평균 분자량: 378.4 g/mol

이름 및 식별자

우선 이름: 3-(3-Benzyl-8-trifluoromethyl-quinolin-4-yl)-phenylamine
IUPAC: 3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]aniline

이름 및 동의어

3-(3-benzyl-8-trifluoromethyl-quinolin-4-yl)-phenylamine[3-(3-Benzyl-8-(trifluoromethyl)quinolin-4-yl]phenyl}amine{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenyl}amineSCHEMBL1124687

데이터베이스 식별자

PubChem CID: 11234297

물성

구조 계산 물성

XLogP: 5.9
극성 표면적: 38.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 28
형식 전하: 0
복잡도: 503

관련 반응

262건

반응 기록 만들기

HRID 88544반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 91308반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 95113반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 101485반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 101639반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 108945반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 112924반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 119449반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

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