9-[[4-(4-chlorobenzoyl)phenyl]methoxy]-2,3-dimethylpyrido[1,2-a]pyrimidin-4-one

C24H19ClN2O3 — CID 18919249

IUPAC9-[[4-(4-chlorobenzoyl)phenyl]methoxy]-2,3-dimethylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2c(OCc3ccc(C(=O)c4ccc(Cl)cc4)cc3)cccn2c(=O)c1C
InChIInChI=1S/C24H19ClN2O3/c1-15-16(2)26-23-21(4-3-13-27(23)24(15)29)30-14-17-5-7-18(8-6-17)22(28)19-9-11-20(25)12-10-19/h3-13H,14H2,1-2H3
InChIKeyFORPPVIJFNFJMZ-UHFFFAOYSA-N
MW418.88 g/mol
LogP4.77
Rot. Bonds5

About 9-[[4-(4-chlorobenzoyl)phenyl]methoxy]-2,3-dimethylpyrido[1,2-a]pyrimidin-4-one

9-[[4-(4-chlorobenzoyl)phenyl]methoxy]-2,3-dimethylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 18919249) has the molecular formula C24H19ClN2O3 and a molecular weight of 418.88 g/mol. Its IUPAC name is 9-[[4-(4-chlorobenzoyl)phenyl]methoxy]-2,3-dimethylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-[[4-(4-chlorobenzoyl)phenyl]methoxy]-2,3-dimethylpyrido[1,2-a]pyrimidin-4-one
PubChem CID18919249
Molecular FormulaC24H19ClN2O3
Molecular Weight418.88 g/mol
Exact Mass418.11
IUPAC Name9-[[4-(4-chlorobenzoyl)phenyl]methoxy]-2,3-dimethylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2c(OCc3ccc(C(=O)c4ccc(Cl)cc4)cc3)cccn2c(=O)c1C
InChIInChI=1S/C24H19ClN2O3/c1-15-16(2)26-23-21(4-3-13-27(23)24(15)29)30-14-17-5-7-18(8-6-17)22(28)19-9-11-20(25)12-10-19/h3-13H,14H2,1-2H3
InChIKeyFORPPVIJFNFJMZ-UHFFFAOYSA-N
XLogP4.77
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(4-chlorobenzoyl)phenyl]methoxy]-3-methylpyrido[1,2-a]pyrimidin-4-one
CID 18918811
4-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzamide
CID 14368367
2-[[4-(6-chloropyridine-3-carbonyl)phenyl]methoxy]-3-methylpyrido[1,2-a]pyrimidin-4-one
CID 18919290
8-[(4-methoxyphenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-ol
CID 70511845
ethyl 4-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzoate
CID 14368366
2-(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanoic acid
CID 57261502
8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl chloride
CID 86717886
1-[8-[(5-chlorothiophen-2-yl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]ethanone
CID 122412883
3-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-9-[(4-methoxyphenyl)methoxy]-2-methylpyrido[1,2-a]pyrimidin-4-one
CID 42804913
8-[(4-methoxyphenyl)methoxy]-N,N,2-trimethylimidazo[1,2-a]pyridin-3-amine
CID 57325066
8-[[4-(4-chlorobenzoyl)phenyl]methoxy]-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 18919151
[4-[(2-chlorophenoxy)methyl]phenyl]-phenylmethanone
CID 1265675

Frequently Asked Questions

What is the IUPAC name of 9-[[4-(4-chlorobenzoyl)phenyl]methoxy]-2,3-dimethylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-[[4-(4-chlorobenzoyl)phenyl]methoxy]-2,3-dimethylpyrido[1,2-a]pyrimidin-4-one (CID 18919249) is 9-[[4-(4-chlorobenzoyl)phenyl]methoxy]-2,3-dimethylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-[[4-(4-chlorobenzoyl)phenyl]methoxy]-2,3-dimethylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-[[4-(4-chlorobenzoyl)phenyl]methoxy]-2,3-dimethylpyrido[1,2-a]pyrimidin-4-one is Cc1nc2c(OCc3ccc(C(=O)c4ccc(Cl)cc4)cc3)cccn2c(=O)c1C.
What is the InChIKey of 9-[[4-(4-chlorobenzoyl)phenyl]methoxy]-2,3-dimethylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is FORPPVIJFNFJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O3/c1-15-16(2)26-23-21(4-3-13-27(23)24(15)29)30-14-17-5-7-18(8-6-17)22(28)19-9-11-20(25)12-10-19/h3-13H,14H2,1-2H3.
What are the key properties of 9-[[4-(4-chlorobenzoyl)phenyl]methoxy]-2,3-dimethylpyrido[1,2-a]pyrimidin-4-one?
9-[[4-(4-chlorobenzoyl)phenyl]methoxy]-2,3-dimethylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 418.88 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[4-(4-chlorobenzoyl)phenyl]methoxy]-2,3-dimethylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 18919249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).