(4-bromo-2-fluorophenyl)-quinolin-7-ylmethanone

C16H9BrFNO — CID 114905760

IUPAC(4-bromo-2-fluorophenyl)-quinolin-7-ylmethanone
SMILESO=C(c1ccc2cccnc2c1)c1ccc(Br)cc1F
InChIInChI=1S/C16H9BrFNO/c17-12-5-6-13(14(18)9-12)16(20)11-4-3-10-2-1-7-19-15(10)8-11/h1-9H
InChIKeyGINWCQVBYLYCMT-UHFFFAOYSA-N
MW330.16 g/mol
LogP4.37
Rot. Bonds2

About (4-bromo-2-fluorophenyl)-quinolin-7-ylmethanone

(4-bromo-2-fluorophenyl)-quinolin-7-ylmethanone (PubChem CID 114905760) has the molecular formula C16H9BrFNO and a molecular weight of 330.16 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)-quinolin-7-ylmethanone.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)-quinolin-7-ylmethanone
PubChem CID114905760
Molecular FormulaC16H9BrFNO
Molecular Weight330.16 g/mol
Exact Mass328.99
IUPAC Name(4-bromo-2-fluorophenyl)-quinolin-7-ylmethanone
SMILESO=C(c1ccc2cccnc2c1)c1ccc(Br)cc1F
InChIInChI=1S/C16H9BrFNO/c17-12-5-6-13(14(18)9-12)16(20)11-4-3-10-2-1-7-19-15(10)8-11/h1-9H
InChIKeyGINWCQVBYLYCMT-UHFFFAOYSA-N
XLogP4.37
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.16
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-bromo-2-fluorophenyl)-quinolin-7-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-amino-5-bromophenyl)-quinolin-7-ylmethanone
CID 82704143
(2-fluorophenyl)-quinolin-7-ylmethanone
CID 81220480
(2-bromo-4-fluorophenyl)-quinolin-7-ylmethanone
CID 115790959
(2-bromo-4-methylphenyl)-quinolin-7-ylmethanone
CID 115790968
(4-fluoro-3-methoxyphenyl)-quinolin-7-ylmethanone
CID 115790996
(4-aminophenyl)-quinolin-7-ylmethanone
CID 116548753
(4-bromo-2-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107288344
(4-bromo-2-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 107288345
(5-methylfuran-3-yl)-quinolin-7-ylmethanone
CID 115790931
(4-bromo-2-fluorophenyl)-(4-phenoxyphenyl)methanone
CID 11501584
(4-bromo-2-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43474023
7-fluoroquinoline-6-carboxylic acid
CID 77174821

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)-quinolin-7-ylmethanone?
The IUPAC name of (4-bromo-2-fluorophenyl)-quinolin-7-ylmethanone (CID 114905760) is (4-bromo-2-fluorophenyl)-quinolin-7-ylmethanone.
What is the SMILES notation for (4-bromo-2-fluorophenyl)-quinolin-7-ylmethanone?
The canonical SMILES for (4-bromo-2-fluorophenyl)-quinolin-7-ylmethanone is O=C(c1ccc2cccnc2c1)c1ccc(Br)cc1F.
What is the InChIKey of (4-bromo-2-fluorophenyl)-quinolin-7-ylmethanone?
The InChIKey is GINWCQVBYLYCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrFNO/c17-12-5-6-13(14(18)9-12)16(20)11-4-3-10-2-1-7-19-15(10)8-11/h1-9H.
What are the key properties of (4-bromo-2-fluorophenyl)-quinolin-7-ylmethanone?
(4-bromo-2-fluorophenyl)-quinolin-7-ylmethanone has a molecular weight of 330.16 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)-quinolin-7-ylmethanone is sourced from PubChem (CID 114905760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).