2-(2,3-dichlorophenyl)-5,7-dimethyl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one

C15H13Cl2N3O — CID 42597811

IUPAC2-(2,3-dichlorophenyl)-5,7-dimethyl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
SMILESCc1cc(C)c2c(n1)NC(c1cccc(Cl)c1Cl)NC2=O
InChIInChI=1S/C15H13Cl2N3O/c1-7-6-8(2)18-14-11(7)15(21)20-13(19-14)9-4-3-5-10(16)12(9)17/h3-6,13H,1-2H3,(H,18,19)(H,20,21)
InChIKeyOKGDZRXYHAXOAC-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.86
Rot. Bonds1

About 2-(2,3-dichlorophenyl)-5,7-dimethyl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one

2-(2,3-dichlorophenyl)-5,7-dimethyl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 42597811) has the molecular formula C15H13Cl2N3O and a molecular weight of 322.20 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-5,7-dimethyl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-5,7-dimethyl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID42597811
Molecular FormulaC15H13Cl2N3O
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name2-(2,3-dichlorophenyl)-5,7-dimethyl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
SMILESCc1cc(C)c2c(n1)NC(c1cccc(Cl)c1Cl)NC2=O
InChIInChI=1S/C15H13Cl2N3O/c1-7-6-8(2)18-14-11(7)15(21)20-13(19-14)9-4-3-5-10(16)12(9)17/h3-6,13H,1-2H3,(H,18,19)(H,20,21)
InChIKeyOKGDZRXYHAXOAC-UHFFFAOYSA-N
XLogP3.86
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2,3-dichlorophenyl)-5,7-dimethyl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

(3,4-Dichlorophenyl)-[4-[[[6-(dimethylamino)-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 10789182
2-(3-Chloro-phenyl)-7-methyl-1H-[1,8]naphthyridin-4-one
CID 5468914
2-(3-Chloro-phenyl)-5,7-dimethyl-1H-[1,8]naphthyridin-4-one
CID 5468915
(3,4-Dichlorophenyl)-[4-[[[6-[methyl(propyl)amino]-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 10527496
(3,4-Dichlorophenyl)-[4-[[[6-(dimethylamino)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 10550097
(3,4-Dichlorophenyl)-[4-[[[6-(methylamino)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 10787547
7-Amino-6-(aminomethyl)-5-(2,3-dichlorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 11531002
7-Amino-6-(aminomethyl)-5-(2-chlorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 11595401
7-amino-6-aminomethyl-5-(2,5-dichloro-phenyl)-1,3-dimethyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 11632315
1-Benzyl-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 2101204
N-[(3-chlorophenyl)methyl]-1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamide
CID 2492224
2-(2,3-dichlorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 164614086

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-5,7-dimethyl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(2,3-dichlorophenyl)-5,7-dimethyl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one (CID 42597811) is 2-(2,3-dichlorophenyl)-5,7-dimethyl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-5,7-dimethyl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(2,3-dichlorophenyl)-5,7-dimethyl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one is Cc1cc(C)c2c(n1)NC(c1cccc(Cl)c1Cl)NC2=O.
What is the InChIKey of 2-(2,3-dichlorophenyl)-5,7-dimethyl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is OKGDZRXYHAXOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O/c1-7-6-8(2)18-14-11(7)15(21)20-13(19-14)9-4-3-5-10(16)12(9)17/h3-6,13H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-(2,3-dichlorophenyl)-5,7-dimethyl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
2-(2,3-dichlorophenyl)-5,7-dimethyl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 322.20 g/mol, XLogP of 3.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-5,7-dimethyl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 42597811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).