2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,6-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

C24H23FN2O3 — CID 139716705

IUPAC2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,6-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(OCc2ccc(C(=O)c3ccc(F)cc3)cc2)nc2n(c1=O)C(C)CCC2
InChIInChI=1S/C24H23FN2O3/c1-15-4-3-5-21-26-23(16(2)24(29)27(15)21)30-14-17-6-8-18(9-7-17)22(28)19-10-12-20(25)13-11-19/h6-13,15H,3-5,14H2,1-2H3
InChIKeyRQHNLYCPSWPDBO-UHFFFAOYSA-N
MW406.46 g/mol
LogP4.40
Rot. Bonds5

About 2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,6-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,6-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 139716705) has the molecular formula C24H23FN2O3 and a molecular weight of 406.46 g/mol. Its IUPAC name is 2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,6-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,6-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID139716705
Molecular FormulaC24H23FN2O3
Molecular Weight406.46 g/mol
Exact Mass406.17
IUPAC Name2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,6-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(OCc2ccc(C(=O)c3ccc(F)cc3)cc2)nc2n(c1=O)C(C)CCC2
InChIInChI=1S/C24H23FN2O3/c1-15-4-3-5-21-26-23(16(2)24(29)27(15)21)30-14-17-6-8-18(9-7-17)22(28)19-10-12-20(25)13-11-19/h6-13,15H,3-5,14H2,1-2H3
InChIKeyRQHNLYCPSWPDBO-UHFFFAOYSA-N
XLogP4.40
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,6-dimethyl-6,7,8,9-tetrahydropyrido[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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,6-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,6-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 139716705) is 2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,6-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,6-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,6-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is Cc1c(OCc2ccc(C(=O)c3ccc(F)cc3)cc2)nc2n(c1=O)C(C)CCC2.
What is the InChIKey of 2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,6-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RQHNLYCPSWPDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O3/c1-15-4-3-5-21-26-23(16(2)24(29)27(15)21)30-14-17-6-8-18(9-7-17)22(28)19-10-12-20(25)13-11-19/h6-13,15H,3-5,14H2,1-2H3.
What are the key properties of 2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,6-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,6-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 406.46 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,6-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 139716705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).