4-(3-chlorophenyl)-1,7-diethylpyrido[2,3-d]pyrimidin-2-one

C17H16ClN3O — CID 6604918

IUPAC4-(3-chlorophenyl)-1,7-diethylpyrido[2,3-d]pyrimidin-2-one
SMILESCCc1ccc2c(-c3cccc(Cl)c3)nc(=O)n(CC)c2n1
InChIInChI=1S/C17H16ClN3O/c1-3-13-8-9-14-15(11-6-5-7-12(18)10-11)20-17(22)21(4-2)16(14)19-13/h5-10H,3-4H2,1-2H3
InChIKeyMNHXYNNKDDXKNP-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.69
Rot. Bonds3

About 4-(3-chlorophenyl)-1,7-diethylpyrido[2,3-d]pyrimidin-2-one

4-(3-chlorophenyl)-1,7-diethylpyrido[2,3-d]pyrimidin-2-one (PubChem CID 6604918) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-1,7-diethylpyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-(3-chlorophenyl)-1,7-diethylpyrido[2,3-d]pyrimidin-2-one
PubChem CID6604918
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC Name4-(3-chlorophenyl)-1,7-diethylpyrido[2,3-d]pyrimidin-2-one
SMILESCCc1ccc2c(-c3cccc(Cl)c3)nc(=O)n(CC)c2n1
InChIInChI=1S/C17H16ClN3O/c1-3-13-8-9-14-15(11-6-5-7-12(18)10-11)20-17(22)21(4-2)16(14)19-13/h5-10H,3-4H2,1-2H3
InChIKeyMNHXYNNKDDXKNP-UHFFFAOYSA-N
XLogP3.69
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-1,7-diethylpyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 4-(3-chlorophenyl)-1,7-diethylpyrido[2,3-d]pyrimidin-2-one (CID 6604918) is 4-(3-chlorophenyl)-1,7-diethylpyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-(3-chlorophenyl)-1,7-diethylpyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4-(3-chlorophenyl)-1,7-diethylpyrido[2,3-d]pyrimidin-2-one is CCc1ccc2c(-c3cccc(Cl)c3)nc(=O)n(CC)c2n1.
What is the InChIKey of 4-(3-chlorophenyl)-1,7-diethylpyrido[2,3-d]pyrimidin-2-one?
The InChIKey is MNHXYNNKDDXKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c1-3-13-8-9-14-15(11-6-5-7-12(18)10-11)20-17(22)21(4-2)16(14)19-13/h5-10H,3-4H2,1-2H3.
What are the key properties of 4-(3-chlorophenyl)-1,7-diethylpyrido[2,3-d]pyrimidin-2-one?
4-(3-chlorophenyl)-1,7-diethylpyrido[2,3-d]pyrimidin-2-one has a molecular weight of 313.79 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-1,7-diethylpyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 6604918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).