4-(2-chloro-7-fluoroquinolin-3-yl)-6-(4-methoxyphenyl)-1H-pyridin-2-one

C21H14ClFN2O2 — CID 155558973

IUPAC4-(2-chloro-7-fluoroquinolin-3-yl)-6-(4-methoxyphenyl)-1H-pyridin-2-one
SMILESCOc1ccc(-c2cc(-c3cc4ccc(F)cc4nc3Cl)cc(=O)[nH]2)cc1
InChIInChI=1S/C21H14ClFN2O2/c1-27-16-6-3-12(4-7-16)18-9-14(10-20(26)24-18)17-8-13-2-5-15(23)11-19(13)25-21(17)22/h2-11H,1H3,(H,24,26)
InChIKeyMLTIAVWXUVYACF-UHFFFAOYSA-N
MW380.81 g/mol
LogP5.06
Rot. Bonds3

About 4-(2-chloro-7-fluoroquinolin-3-yl)-6-(4-methoxyphenyl)-1H-pyridin-2-one

4-(2-chloro-7-fluoroquinolin-3-yl)-6-(4-methoxyphenyl)-1H-pyridin-2-one (PubChem CID 155558973) has the molecular formula C21H14ClFN2O2 and a molecular weight of 380.81 g/mol. Its IUPAC name is 4-(2-chloro-7-fluoroquinolin-3-yl)-6-(4-methoxyphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(2-chloro-7-fluoroquinolin-3-yl)-6-(4-methoxyphenyl)-1H-pyridin-2-one
PubChem CID155558973
Molecular FormulaC21H14ClFN2O2
Molecular Weight380.81 g/mol
Exact Mass380.07
IUPAC Name4-(2-chloro-7-fluoroquinolin-3-yl)-6-(4-methoxyphenyl)-1H-pyridin-2-one
SMILESCOc1ccc(-c2cc(-c3cc4ccc(F)cc4nc3Cl)cc(=O)[nH]2)cc1
InChIInChI=1S/C21H14ClFN2O2/c1-27-16-6-3-12(4-7-16)18-9-14(10-20(26)24-18)17-8-13-2-5-15(23)11-19(13)25-21(17)22/h2-11H,1H3,(H,24,26)
InChIKeyMLTIAVWXUVYACF-UHFFFAOYSA-N
XLogP5.06
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.81
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-(2-chloro-7-fluoroquinolin-3-yl)-6-(4-methoxyphenyl)-1H-pyridin-2-one 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-chloro-3-fluoro-7-methoxyquinoline
CID 22030591
2-chloro-7-fluoro-N-[2-(4-methoxyphenoxy)ethyl]quinoline-3-carboxamide
CID 110299153
2-chloro-7-fluoro-N-[(4-methoxyphenyl)methyl]quinoline-3-carboxamide
CID 110299119
4-(2-hydroxy-3-methoxyphenyl)-6-naphthalen-2-yl-1H-pyridin-2-one
CID 100996420
2-chloro-N-(2,4-dimethoxyphenyl)-7-fluoroquinoline-3-carboxamide
CID 110299190
4-chloro-6-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidine
CID 86084758
2-chloro-4-fluoro-1-[(4-methoxyphenoxy)methyl]benzene
CID 112788881
2-fluoro-1-(4-fluorophenyl)-4-methoxybenzene
CID 46312221
2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-imidazole;hydrochloride
CID 18673126
7-chloro-2-(4-methoxyphenyl)-1H-indole
CID 131886896
4,6-bis(4-methylphenyl)-1H-pyridin-2-one
CID 12035523
2-chloro-7-fluoro-N-[3-(4-fluorophenoxy)propyl]quinoline-3-carboxamide
CID 110307324

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-7-fluoroquinolin-3-yl)-6-(4-methoxyphenyl)-1H-pyridin-2-one?
The IUPAC name of 4-(2-chloro-7-fluoroquinolin-3-yl)-6-(4-methoxyphenyl)-1H-pyridin-2-one (CID 155558973) is 4-(2-chloro-7-fluoroquinolin-3-yl)-6-(4-methoxyphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(2-chloro-7-fluoroquinolin-3-yl)-6-(4-methoxyphenyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(2-chloro-7-fluoroquinolin-3-yl)-6-(4-methoxyphenyl)-1H-pyridin-2-one is COc1ccc(-c2cc(-c3cc4ccc(F)cc4nc3Cl)cc(=O)[nH]2)cc1.
What is the InChIKey of 4-(2-chloro-7-fluoroquinolin-3-yl)-6-(4-methoxyphenyl)-1H-pyridin-2-one?
The InChIKey is MLTIAVWXUVYACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN2O2/c1-27-16-6-3-12(4-7-16)18-9-14(10-20(26)24-18)17-8-13-2-5-15(23)11-19(13)25-21(17)22/h2-11H,1H3,(H,24,26).
What are the key properties of 4-(2-chloro-7-fluoroquinolin-3-yl)-6-(4-methoxyphenyl)-1H-pyridin-2-one?
4-(2-chloro-7-fluoroquinolin-3-yl)-6-(4-methoxyphenyl)-1H-pyridin-2-one has a molecular weight of 380.81 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-7-fluoroquinolin-3-yl)-6-(4-methoxyphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 155558973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).