2-butyl-3-(4-chlorophenyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one

C18H16ClFN2O — CID 24994369

IUPAC2-butyl-3-(4-chlorophenyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
SMILESCCCCc1nc2ccc(F)cn2c(=O)c1-c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClFN2O/c1-2-3-4-15-17(12-5-7-13(19)8-6-12)18(23)22-11-14(20)9-10-16(22)21-15/h5-11H,2-4H2,1H3
InChIKeyWJINBXRGUDWNAD-UHFFFAOYSA-N
MW330.79 g/mol
LogP4.50
Rot. Bonds4

About 2-butyl-3-(4-chlorophenyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one

2-butyl-3-(4-chlorophenyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one (PubChem CID 24994369) has the molecular formula C18H16ClFN2O and a molecular weight of 330.79 g/mol. Its IUPAC name is 2-butyl-3-(4-chlorophenyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-butyl-3-(4-chlorophenyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
PubChem CID24994369
Molecular FormulaC18H16ClFN2O
Molecular Weight330.79 g/mol
Exact Mass330.09
IUPAC Name2-butyl-3-(4-chlorophenyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
SMILESCCCCc1nc2ccc(F)cn2c(=O)c1-c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClFN2O/c1-2-3-4-15-17(12-5-7-13(19)8-6-12)18(23)22-11-14(20)9-10-16(22)21-15/h5-11H,2-4H2,1H3
InChIKeyWJINBXRGUDWNAD-UHFFFAOYSA-N
XLogP4.50
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.79
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-butyl-3-(4-chlorophenyl)-7-fluoropyrido[1,2-a]pyrimidin-4-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

3-[(4-Chlorophenyl)methyl]-2-methylpyrido[1,2-a]pyrimidin-4-one
CID 12527417
2-(4-Chlorophenyl)pyrido[1,2-a]pyrimidin-4-one
CID 10563061
4H-Pyrazino(1,2-a)pyrimidin-4-one, 3-(p-chlorophenyl)-2-(3-diethylaminopropoxy)-, hydrobromide
CID 87667
4H-Pyrazino(1,2-a)pyrimidin-4-one, 3-(p-chlorophenyl)-2-hydroxy-
CID 135602152
2-[[(2-Chloro-6-fluorophenyl)methyl-methylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 8365265
7-[2-(4-chlorophenyl)acetyl]-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one
CID 53183983
7-[2-(4-Chlorophenyl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136507751
5-[2-(3,5-Difluorophenyl)acetyl]-14-methyl-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one
CID 4093692
N-(7-chloro-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-(4-fluorophenyl)acetamide
CID 18566155
8-chloro-2-(2-(3-fluorophenyl)acetyl)-3,4-dihydro-1H-dipyrido[1,2-a:4',3'-d]pyrimidin-11(2H)-one
CID 91632521
2-(2-(2-chloro-6-fluorophenyl)acetyl)-8-fluoro-3,4-dihydro-1H-dipyrido[1,2-a:4',3'-d]pyrimidin-11(2H)-one
CID 91632605
(6Z)-12-chloro-6-[(4-fluorophenyl)methylidene]-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraen-2-one
CID 20280212

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-(4-chlorophenyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-butyl-3-(4-chlorophenyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one (CID 24994369) is 2-butyl-3-(4-chlorophenyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-butyl-3-(4-chlorophenyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-butyl-3-(4-chlorophenyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one is CCCCc1nc2ccc(F)cn2c(=O)c1-c1ccc(Cl)cc1.
What is the InChIKey of 2-butyl-3-(4-chlorophenyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is WJINBXRGUDWNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O/c1-2-3-4-15-17(12-5-7-13(19)8-6-12)18(23)22-11-14(20)9-10-16(22)21-15/h5-11H,2-4H2,1H3.
What are the key properties of 2-butyl-3-(4-chlorophenyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one?
2-butyl-3-(4-chlorophenyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 330.79 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-(4-chlorophenyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 24994369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).