2,7-diphenyl-6H-pyrido[4,3-d]pyrimidin-5-one

C19H13N3O — CID 131851212

IUPAC2,7-diphenyl-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESO=c1[nH]c(-c2ccccc2)cc2nc(-c3ccccc3)ncc12
InChIInChI=1S/C19H13N3O/c23-19-15-12-20-18(14-9-5-2-6-10-14)21-17(15)11-16(22-19)13-7-3-1-4-8-13/h1-12H,(H,22,23)
InChIKeyUVABLCUSDYDOHA-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.65
Rot. Bonds2

About 2,7-diphenyl-6H-pyrido[4,3-d]pyrimidin-5-one

2,7-diphenyl-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 131851212) has the molecular formula C19H13N3O and a molecular weight of 299.33 g/mol. Its IUPAC name is 2,7-diphenyl-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2,7-diphenyl-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID131851212
Molecular FormulaC19H13N3O
Molecular Weight299.33 g/mol
Exact Mass299.11
IUPAC Name2,7-diphenyl-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESO=c1[nH]c(-c2ccccc2)cc2nc(-c3ccccc3)ncc12
InChIInChI=1S/C19H13N3O/c23-19-15-12-20-18(14-9-5-2-6-10-14)21-17(15)11-16(22-19)13-7-3-1-4-8-13/h1-12H,(H,22,23)
InChIKeyUVABLCUSDYDOHA-UHFFFAOYSA-N
XLogP3.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-methyl-3-phenyl-2H-benzo[b][1,6]naphthyridin-1-one
CID 102599004
2-phenylquinazoline
CID 158733567
6,7-dimethyl-2-(5-phenylpyrimidin-2-yl)-3H-quinazolin-4-one
CID 167835199
2-phenylquinazoline-6,7-diol
CID 137014839
2-chloro-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine
CID 72698299
2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine
CID 21258108
2-phenylquinazoline;1H-pyrrole
CID 162097748
2-(2-phenylquinazolin-4-yl)sulfanyl-3H-quinazolin-4-one
CID 135696924
4-(1-oxo-2H-isoquinolin-3-yl)benzoic acid
CID 82667154
3-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidine
CID 141418735
N-methyl-1-oxo-3-phenyl-2H-isoquinoline-7-carboxamide
CID 67768528
2-[(E)-1-chloro-2-(2-phenylpyrimidin-5-yl)ethenyl]-3H-quinazolin-4-one
CID 135960496

Frequently Asked Questions

What is the IUPAC name of 2,7-diphenyl-6H-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 2,7-diphenyl-6H-pyrido[4,3-d]pyrimidin-5-one (CID 131851212) is 2,7-diphenyl-6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2,7-diphenyl-6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2,7-diphenyl-6H-pyrido[4,3-d]pyrimidin-5-one is O=c1[nH]c(-c2ccccc2)cc2nc(-c3ccccc3)ncc12.
What is the InChIKey of 2,7-diphenyl-6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is UVABLCUSDYDOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O/c23-19-15-12-20-18(14-9-5-2-6-10-14)21-17(15)11-16(22-19)13-7-3-1-4-8-13/h1-12H,(H,22,23).
What are the key properties of 2,7-diphenyl-6H-pyrido[4,3-d]pyrimidin-5-one?
2,7-diphenyl-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 299.33 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diphenyl-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 131851212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).