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

C23H21FN2O3 — CID 18918929

IUPAC2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(OCc2ccc(C(=O)c3ccc(F)cc3)cc2)nc2n(c1=O)CCCC2
InChIInChI=1S/C23H21FN2O3/c1-15-22(25-20-4-2-3-13-26(20)23(15)28)29-14-16-5-7-17(8-6-16)21(27)18-9-11-19(24)12-10-18/h5-12H,2-4,13-14H2,1H3
InChIKeyVGDNGXSAETXTSI-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.84
Rot. Bonds5

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

2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 18918929) has the molecular formula C23H21FN2O3 and a molecular weight of 392.43 g/mol. Its IUPAC name is 2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID18918929
Molecular FormulaC23H21FN2O3
Molecular Weight392.43 g/mol
Exact Mass392.15
IUPAC Name2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(OCc2ccc(C(=O)c3ccc(F)cc3)cc2)nc2n(c1=O)CCCC2
InChIInChI=1S/C23H21FN2O3/c1-15-22(25-20-4-2-3-13-26(20)23(15)28)29-14-16-5-7-17(8-6-16)21(27)18-9-11-19(24)12-10-18/h5-12H,2-4,13-14H2,1H3
InChIKeyVGDNGXSAETXTSI-UHFFFAOYSA-N
XLogP3.84
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

8-[[4-(4-fluorobenzoyl)phenyl]methoxy]-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 18918945
3,6-Dimethyl-2-[[4-[4-(trifluoromethyl)benzoyl]phenyl]methoxy]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 18919152
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]-3,6-dimethylpyrido[1,2-a]pyrimidin-4-one
CID 18919332
4-{[4-[(2,4-difluorobenzyl)oxy]-2-methyl-6-oxopyrimidin-1(6H)-yl]methyl}benzoic acid
CID 21089015
3-[[4-(4-Acetylpiperazine-1-carbonyl)phenyl]methyl]-5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methylpyrimidin-4-one
CID 21089197
6-[(2,4-Difluorophenyl)methoxy]-5-[(2,4-difluorophenyl)methyl]-2-methyl-3-prop-2-enylpyrimidin-4-one
CID 21089323
4-[[5-Bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]benzamide
CID 21089408
4-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]-N,N-dimethylbenzamide
CID 21089423
5-Bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]pyrimidin-4-one
CID 21089665
5-Bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]pyrimidin-4-one
CID 21089668

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 18918929) is 2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is Cc1c(OCc2ccc(C(=O)c3ccc(F)cc3)cc2)nc2n(c1=O)CCCC2.
What is the InChIKey of 2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is VGDNGXSAETXTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3/c1-15-22(25-20-4-2-3-13-26(20)23(15)28)29-14-16-5-7-17(8-6-16)21(27)18-9-11-19(24)12-10-18/h5-12H,2-4,13-14H2,1H3.
What are the key properties of 2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 392.43 g/mol, XLogP of 3.84, 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-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 18918929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).