(3-fluoro-4-methylphenyl)-quinolin-2-ylmethanone

C17H12FNO — CID 107128303

IUPAC(3-fluoro-4-methylphenyl)-quinolin-2-ylmethanone
SMILESCc1ccc(C(=O)c2ccc3ccccc3n2)cc1F
InChIInChI=1S/C17H12FNO/c1-11-6-7-13(10-14(11)18)17(20)16-9-8-12-4-2-3-5-15(12)19-16/h2-10H,1H3
InChIKeyCOPZDOWVRABNLP-UHFFFAOYSA-N
MW265.29 g/mol
LogP3.91
Rot. Bonds2

About (3-fluoro-4-methylphenyl)-quinolin-2-ylmethanone

(3-fluoro-4-methylphenyl)-quinolin-2-ylmethanone (PubChem CID 107128303) has the molecular formula C17H12FNO and a molecular weight of 265.29 g/mol. Its IUPAC name is (3-fluoro-4-methylphenyl)-quinolin-2-ylmethanone.

Molecular Properties

Compound Name(3-fluoro-4-methylphenyl)-quinolin-2-ylmethanone
PubChem CID107128303
Molecular FormulaC17H12FNO
Molecular Weight265.29 g/mol
Exact Mass265.09
IUPAC Name(3-fluoro-4-methylphenyl)-quinolin-2-ylmethanone
SMILESCc1ccc(C(=O)c2ccc3ccccc3n2)cc1F
InChIInChI=1S/C17H12FNO/c1-11-6-7-13(10-14(11)18)17(20)16-9-8-12-4-2-3-5-15(12)19-16/h2-10H,1H3
InChIKeyCOPZDOWVRABNLP-UHFFFAOYSA-N
XLogP3.91
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3-fluoro-4-methylphenyl)-quinolin-2-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

(3,5-dimethylphenyl)-quinolin-2-ylmethanone
CID 63222794
1-(3-fluoro-4-methylphenyl)-2-quinolin-2-ylethanone
CID 28935285
2-[1-(4-fluoro-3-methylphenyl)ethenyl]quinoline
CID 175043442
(3-iodo-5-methylphenyl)-quinolin-2-ylmethanone
CID 122393251
(5-chloro-2-pyridinyl)-(3-fluoro-4-methylphenyl)methanone
CID 107128378
(3-aminonaphthalen-2-yl)-(3-fluoro-4-methylphenyl)methanone
CID 107129703
pentakis(anthracen-2-yl(benzo[g]quinolin-2-yl)methanone);benzo[g]quinolin-2-yl(naphthalen-2-yl)methanone;ethane
CID 160839075
(2,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 43337276
(2-chloro-5-fluorophenyl)-quinolin-2-ylmethanone
CID 105394234
(1-methylpyrazol-4-yl)-quinolin-2-ylmethanone
CID 63222880
(3-fluoro-4-methylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 43337574
N'-(4-fluorobenzoyl)quinoline-2-carbohydrazide
CID 7779547

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methylphenyl)-quinolin-2-ylmethanone?
The IUPAC name of (3-fluoro-4-methylphenyl)-quinolin-2-ylmethanone (CID 107128303) is (3-fluoro-4-methylphenyl)-quinolin-2-ylmethanone.
What is the SMILES notation for (3-fluoro-4-methylphenyl)-quinolin-2-ylmethanone?
The canonical SMILES for (3-fluoro-4-methylphenyl)-quinolin-2-ylmethanone is Cc1ccc(C(=O)c2ccc3ccccc3n2)cc1F.
What is the InChIKey of (3-fluoro-4-methylphenyl)-quinolin-2-ylmethanone?
The InChIKey is COPZDOWVRABNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO/c1-11-6-7-13(10-14(11)18)17(20)16-9-8-12-4-2-3-5-15(12)19-16/h2-10H,1H3.
What are the key properties of (3-fluoro-4-methylphenyl)-quinolin-2-ylmethanone?
(3-fluoro-4-methylphenyl)-quinolin-2-ylmethanone has a molecular weight of 265.29 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methylphenyl)-quinolin-2-ylmethanone is sourced from PubChem (CID 107128303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).