3-naphthalen-1-ylpyrido[1,2-a]pyrimidin-4-one

C18H12N2O — CID 122203480

IUPAC3-naphthalen-1-ylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(-c2cccc3ccccc23)cnc2ccccn12
InChIInChI=1S/C18H12N2O/c21-18-16(12-19-17-10-3-4-11-20(17)18)15-9-5-7-13-6-1-2-8-14(13)15/h1-12H
InChIKeyPSLUGJGDOITNSK-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.51
Rot. Bonds1

About 3-naphthalen-1-ylpyrido[1,2-a]pyrimidin-4-one

3-naphthalen-1-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 122203480) has the molecular formula C18H12N2O and a molecular weight of 272.31 g/mol. Its IUPAC name is 3-naphthalen-1-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-naphthalen-1-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID122203480
Molecular FormulaC18H12N2O
Molecular Weight272.31 g/mol
Exact Mass272.09
IUPAC Name3-naphthalen-1-ylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(-c2cccc3ccccc23)cnc2ccccn12
InChIInChI=1S/C18H12N2O/c21-18-16(12-19-17-10-3-4-11-20(17)18)15-9-5-7-13-6-1-2-8-14(13)15/h1-12H
InChIKeyPSLUGJGDOITNSK-UHFFFAOYSA-N
XLogP3.51
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-3-phenyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 135399285
N-(2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-1-naphthamide
CID 16799353
N-(2,8-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-1-naphthamide
CID 16799373
3-naphthalen-1-yl-6-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 137633358
4H-Pyrido[1,2-a]pyrimidin-4-one, 2,3-diphenyl-
CID 12235379
N-(2,9-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-1-naphthamide
CID 16799398
3-(4-Methylphenyl)pyrido[1,2-a]pyrimidin-4-one
CID 122203481
8-[6-(4,4-Difluoropiperidine-1-carbonyl)naphthalen-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 154667121
N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)naphthalene-2-carboxamide
CID 44782754
(8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-naphthalen-2-ylmethanone
CID 9882853
(8-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)-(6-methylnaphthalen-2-yl)methanone
CID 42643461
3-(p-(Trifluoromethyl)phenyl)-4H-pyrido[1,2-a]pyrimidine-4-one
CID 56590882

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-naphthalen-1-ylpyrido[1,2-a]pyrimidin-4-one (CID 122203480) is 3-naphthalen-1-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-naphthalen-1-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-naphthalen-1-ylpyrido[1,2-a]pyrimidin-4-one is O=c1c(-c2cccc3ccccc23)cnc2ccccn12.
What is the InChIKey of 3-naphthalen-1-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is PSLUGJGDOITNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O/c21-18-16(12-19-17-10-3-4-11-20(17)18)15-9-5-7-13-6-1-2-8-14(13)15/h1-12H.
What are the key properties of 3-naphthalen-1-ylpyrido[1,2-a]pyrimidin-4-one?
3-naphthalen-1-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 272.31 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 122203480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).