4-(4-chlorophenyl)-1-ethylpyrido[2,3-d]pyrimidin-2-one

C15H12ClN3O — CID 23284519

IUPAC4-(4-chlorophenyl)-1-ethylpyrido[2,3-d]pyrimidin-2-one
SMILESCCn1c(=O)nc(-c2ccc(Cl)cc2)c2cccnc21
InChIInChI=1S/C15H12ClN3O/c1-2-19-14-12(4-3-9-17-14)13(18-15(19)20)10-5-7-11(16)8-6-10/h3-9H,2H2,1H3
InChIKeyJOELWFDSNPAOAO-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.13
Rot. Bonds2

About 4-(4-chlorophenyl)-1-ethylpyrido[2,3-d]pyrimidin-2-one

4-(4-chlorophenyl)-1-ethylpyrido[2,3-d]pyrimidin-2-one (PubChem CID 23284519) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-ethylpyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-ethylpyrido[2,3-d]pyrimidin-2-one
PubChem CID23284519
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name4-(4-chlorophenyl)-1-ethylpyrido[2,3-d]pyrimidin-2-one
SMILESCCn1c(=O)nc(-c2ccc(Cl)cc2)c2cccnc21
InChIInChI=1S/C15H12ClN3O/c1-2-19-14-12(4-3-9-17-14)13(18-15(19)20)10-5-7-11(16)8-6-10/h3-9H,2H2,1H3
InChIKeyJOELWFDSNPAOAO-UHFFFAOYSA-N
XLogP3.13
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-ethylpyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 4-(4-chlorophenyl)-1-ethylpyrido[2,3-d]pyrimidin-2-one (CID 23284519) is 4-(4-chlorophenyl)-1-ethylpyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-(4-chlorophenyl)-1-ethylpyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4-(4-chlorophenyl)-1-ethylpyrido[2,3-d]pyrimidin-2-one is CCn1c(=O)nc(-c2ccc(Cl)cc2)c2cccnc21.
What is the InChIKey of 4-(4-chlorophenyl)-1-ethylpyrido[2,3-d]pyrimidin-2-one?
The InChIKey is JOELWFDSNPAOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c1-2-19-14-12(4-3-9-17-14)13(18-15(19)20)10-5-7-11(16)8-6-10/h3-9H,2H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-1-ethylpyrido[2,3-d]pyrimidin-2-one?
4-(4-chlorophenyl)-1-ethylpyrido[2,3-d]pyrimidin-2-one has a molecular weight of 285.73 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-ethylpyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 23284519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).