2-[[4-(4-chlorobenzoyl)phenyl]methoxy]-3-methylpyrido[1,2-a]pyrimidin-4-one

C23H17ClN2O3 — CID 18918811

IUPAC2-[[4-(4-chlorobenzoyl)phenyl]methoxy]-3-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(OCc2ccc(C(=O)c3ccc(Cl)cc3)cc2)nc2ccccn2c1=O
InChIInChI=1S/C23H17ClN2O3/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/h2-13H,14H2,1H3
InChIKeyZFVPVQVOWPJVSF-UHFFFAOYSA-N
MW404.85 g/mol
LogP4.47
Rot. Bonds5

About 2-[[4-(4-chlorobenzoyl)phenyl]methoxy]-3-methylpyrido[1,2-a]pyrimidin-4-one

2-[[4-(4-chlorobenzoyl)phenyl]methoxy]-3-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 18918811) has the molecular formula C23H17ClN2O3 and a molecular weight of 404.85 g/mol. Its IUPAC name is 2-[[4-(4-chlorobenzoyl)phenyl]methoxy]-3-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[4-(4-chlorobenzoyl)phenyl]methoxy]-3-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID18918811
Molecular FormulaC23H17ClN2O3
Molecular Weight404.85 g/mol
Exact Mass404.09
IUPAC Name2-[[4-(4-chlorobenzoyl)phenyl]methoxy]-3-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(OCc2ccc(C(=O)c3ccc(Cl)cc3)cc2)nc2ccccn2c1=O
InChIInChI=1S/C23H17ClN2O3/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/h2-13H,14H2,1H3
InChIKeyZFVPVQVOWPJVSF-UHFFFAOYSA-N
XLogP4.47
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.85
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(6-chloropyridine-3-carbonyl)phenyl]methoxy]-3-methylpyrido[1,2-a]pyrimidin-4-one
CID 18919290
9-[[4-(4-chlorobenzoyl)phenyl]methoxy]-2,3-dimethylpyrido[1,2-a]pyrimidin-4-one
CID 18919249
8-[[4-(4-chlorobenzoyl)phenyl]methoxy]-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 18919151
3-(4-chlorophenyl)-2-propoxypyrido[1,2-a]pyrimidin-4-one
CID 24996910
2-phenylmethoxy-3-[4-(4-piperidin-1-ylpiperidine-1-carbonyl)benzoyl]pyrido[1,2-a]pyrimidin-4-one;dihydrochloride
CID 67650693
2-[(4-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 82225553
3-(4-chlorophenyl)-2-(2-methoxyethyl)pyrido[1,2-a]pyrimidin-4-one
CID 24996911
ethyl 6-(4-chlorobenzoyl)imino-7-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
CID 2160887
N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-ethylbenzamide
CID 42881568
N-[1-(4-chlorophenyl)propylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 4294253
3-bromo-2-propoxypyrido[1,2-a]pyrimidin-4-one
CID 68855687
methyl 4-([1,2,4]triazolo[4,3-a]pyridin-3-yloxymethyl)benzoate
CID 9355701

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chlorobenzoyl)phenyl]methoxy]-3-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[4-(4-chlorobenzoyl)phenyl]methoxy]-3-methylpyrido[1,2-a]pyrimidin-4-one (CID 18918811) is 2-[[4-(4-chlorobenzoyl)phenyl]methoxy]-3-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[4-(4-chlorobenzoyl)phenyl]methoxy]-3-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[4-(4-chlorobenzoyl)phenyl]methoxy]-3-methylpyrido[1,2-a]pyrimidin-4-one is Cc1c(OCc2ccc(C(=O)c3ccc(Cl)cc3)cc2)nc2ccccn2c1=O.
What is the InChIKey of 2-[[4-(4-chlorobenzoyl)phenyl]methoxy]-3-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ZFVPVQVOWPJVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O3/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/h2-13H,14H2,1H3.
What are the key properties of 2-[[4-(4-chlorobenzoyl)phenyl]methoxy]-3-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[4-(4-chlorobenzoyl)phenyl]methoxy]-3-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 404.85 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chlorobenzoyl)phenyl]methoxy]-3-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 18918811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).