(6-bromo-3-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methylphenyl)methanone

C17H15BrFNO — CID 142580540

IUPAC(6-bromo-3-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CC(F)Cc3cc(Br)ccc32)c1
InChIInChI=1S/C17H15BrFNO/c1-11-3-2-4-12(7-11)17(21)20-10-15(19)9-13-8-14(18)5-6-16(13)20/h2-8,15H,9-10H2,1H3
InChIKeyOGAGXSRJVWVGIQ-UHFFFAOYSA-N
MW348.22 g/mol
LogP4.30
Rot. Bonds1

About (6-bromo-3-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methylphenyl)methanone

(6-bromo-3-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methylphenyl)methanone (PubChem CID 142580540) has the molecular formula C17H15BrFNO and a molecular weight of 348.22 g/mol. Its IUPAC name is (6-bromo-3-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methylphenyl)methanone.

Molecular Properties

Compound Name(6-bromo-3-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methylphenyl)methanone
PubChem CID142580540
Molecular FormulaC17H15BrFNO
Molecular Weight348.22 g/mol
Exact Mass347.03
IUPAC Name(6-bromo-3-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CC(F)Cc3cc(Br)ccc32)c1
InChIInChI=1S/C17H15BrFNO/c1-11-3-2-4-12(7-11)17(21)20-10-15(19)9-13-8-14(18)5-6-16(13)20/h2-8,15H,9-10H2,1H3
InChIKeyOGAGXSRJVWVGIQ-UHFFFAOYSA-N
XLogP4.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.22
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(7-bromo-2,3-dihydro-1,4-benzoxazin-4-yl)-(3-methylphenyl)methanone
CID 84609317
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
(3-bromophenyl)-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 38462694
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(3-methylphenyl)methanone
CID 17480877
(2-fluoro-1-methylcyclopropyl)-(3-methylphenyl)methanone
CID 131000877
(3-bromophenyl)-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
CID 2579914
3,4-dihydro-2H-1,6-naphthyridin-1-yl-(3-methylphenyl)methanone;methane
CID 143489580
N-[3-(5-bromo-2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]ethanesulfonamide
CID 133260892
tert-butyl 3-amino-6-bromo-3,4-dihydro-2H-quinoline-1-carboxylate
CID 83764303
(2S)-1-(3-methylbenzoyl)-2,3-dihydroindole-2-carboxamide
CID 41428724
(5-bromo-2,3-dihydroindol-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 51126615
N-[1-(4-fluorophenyl)ethyl]-1-(3-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 132664986

Frequently Asked Questions

What is the IUPAC name of (6-bromo-3-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methylphenyl)methanone?
The IUPAC name of (6-bromo-3-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methylphenyl)methanone (CID 142580540) is (6-bromo-3-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methylphenyl)methanone.
What is the SMILES notation for (6-bromo-3-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methylphenyl)methanone?
The canonical SMILES for (6-bromo-3-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methylphenyl)methanone is Cc1cccc(C(=O)N2CC(F)Cc3cc(Br)ccc32)c1.
What is the InChIKey of (6-bromo-3-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methylphenyl)methanone?
The InChIKey is OGAGXSRJVWVGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFNO/c1-11-3-2-4-12(7-11)17(21)20-10-15(19)9-13-8-14(18)5-6-16(13)20/h2-8,15H,9-10H2,1H3.
What are the key properties of (6-bromo-3-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methylphenyl)methanone?
(6-bromo-3-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methylphenyl)methanone has a molecular weight of 348.22 g/mol, XLogP of 4.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-3-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methylphenyl)methanone is sourced from PubChem (CID 142580540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).