3-(4-methoxybenzoyl)pyrido[1,2-a]pyrimidin-4-one

C16H12N2O3 — CID 97032771

IUPAC3-(4-methoxybenzoyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(C(=O)c2cnc3ccccn3c2=O)cc1
InChIInChI=1S/C16H12N2O3/c1-21-12-7-5-11(6-8-12)15(19)13-10-17-14-4-2-3-9-18(14)16(13)20/h2-10H,1H3
InChIKeyBNACUZOUPUHPHM-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.93
Rot. Bonds3

About 3-(4-methoxybenzoyl)pyrido[1,2-a]pyrimidin-4-one

3-(4-methoxybenzoyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 97032771) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 3-(4-methoxybenzoyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(4-methoxybenzoyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID97032771
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name3-(4-methoxybenzoyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(C(=O)c2cnc3ccccn3c2=O)cc1
InChIInChI=1S/C16H12N2O3/c1-21-12-7-5-11(6-8-12)15(19)13-10-17-14-4-2-3-9-18(14)16(13)20/h2-10H,1H3
InChIKeyBNACUZOUPUHPHM-UHFFFAOYSA-N
XLogP1.93
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(7-methoxynaphthalen-2-yl) 4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
CID 134043010
N-[3-(4-methoxybenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 112809145
N-(2,4-dimethoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4575307
4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride
CID 56684110
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 16620945
butyl 4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
CID 113222289
N-[2-[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 45205475
3-[[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]amino]pyrido[1,2-a]pyrimidin-4-one
CID 44782803
(3-acetylphenyl) 4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
CID 86916716
N-(2-methoxy-5-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878675
4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 134057826
3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 24675717

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxybenzoyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(4-methoxybenzoyl)pyrido[1,2-a]pyrimidin-4-one (CID 97032771) is 3-(4-methoxybenzoyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(4-methoxybenzoyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(4-methoxybenzoyl)pyrido[1,2-a]pyrimidin-4-one is COc1ccc(C(=O)c2cnc3ccccn3c2=O)cc1.
What is the InChIKey of 3-(4-methoxybenzoyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is BNACUZOUPUHPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-21-12-7-5-11(6-8-12)15(19)13-10-17-14-4-2-3-9-18(14)16(13)20/h2-10H,1H3.
What are the key properties of 3-(4-methoxybenzoyl)pyrido[1,2-a]pyrimidin-4-one?
3-(4-methoxybenzoyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 280.28 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxybenzoyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 97032771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).