2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,6-dimethylpyrido[1,2-a]pyrimidin-4-one

C24H19FN2O3 — CID 18919332

IUPAC2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,6-dimethylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(OCc2ccc(C(=O)c3ccc(F)cc3)cc2)nc2cccc(C)n2c1=O
InChIInChI=1S/C24H19FN2O3/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/h3-13H,14H2,1-2H3
InChIKeyNTXNHXFDNOVTPS-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.26
Rot. Bonds5

About 2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,6-dimethylpyrido[1,2-a]pyrimidin-4-one

2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,6-dimethylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 18919332) has the molecular formula C24H19FN2O3 and a molecular weight of 402.43 g/mol. Its IUPAC name is 2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,6-dimethylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,6-dimethylpyrido[1,2-a]pyrimidin-4-one
PubChem CID18919332
Molecular FormulaC24H19FN2O3
Molecular Weight402.43 g/mol
Exact Mass402.14
IUPAC Name2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,6-dimethylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(OCc2ccc(C(=O)c3ccc(F)cc3)cc2)nc2cccc(C)n2c1=O
InChIInChI=1S/C24H19FN2O3/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/h3-13H,14H2,1-2H3
InChIKeyNTXNHXFDNOVTPS-UHFFFAOYSA-N
XLogP4.26
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(4-Fluorobenzoyl)phenyl]methoxy]-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 18918929
3,6-Dimethyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 18919152
7-[4-(4-Fluorobenzoyl)benzyloxy]-3,6-dimethyl-5H-thiazolo[3,2-a]pyrimidin-5-one
CID 18919194
3-Methyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 18919206
3,6-Dimethyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]pyrido[1,2-a]pyrimidin-4-one
CID 18919262
2-[[4-(4-Fluorobenzoyl)phenyl]methoxy]-3-methylpyrido[1,2-a]pyrimidin-4-one
CID 69959494
3-Methyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]pyrido[1,2-a]pyrimidin-4-one
CID 69961145
2-[[4-(4-Fluorobenzoyl)phenyl]methoxy]-3,6-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 139716705
(6-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-fluorobenzoate
CID 8250813
(6-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-fluorobenzoate
CID 8281526
(6-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(trifluoromethyl)benzoate
CID 8285893
(6-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-fluorobenzoate
CID 8286695

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,6-dimethylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,6-dimethylpyrido[1,2-a]pyrimidin-4-one (CID 18919332) is 2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,6-dimethylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,6-dimethylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,6-dimethylpyrido[1,2-a]pyrimidin-4-one is Cc1c(OCc2ccc(C(=O)c3ccc(F)cc3)cc2)nc2cccc(C)n2c1=O.
What is the InChIKey of 2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,6-dimethylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is NTXNHXFDNOVTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O3/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/h3-13H,14H2,1-2H3.
What are the key properties of 2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,6-dimethylpyrido[1,2-a]pyrimidin-4-one?
2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,6-dimethylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 402.43 g/mol, XLogP of 4.26, 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-dimethylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 18919332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).