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

C17H17ClN4O2 — CID 158585099

IUPAC1-(2-chlorophenyl)-4-(2-methoxyethylamino)-7-methylpyrido[2,3-d]pyrimidin-2-one
SMILESCOCCNc1nc(=O)n(-c2ccccc2Cl)c2nc(C)ccc12
InChIInChI=1S/C17H17ClN4O2/c1-11-7-8-12-15(19-9-10-24-2)21-17(23)22(16(12)20-11)14-6-4-3-5-13(14)18/h3-8H,9-10H2,1-2H3,(H,19,21,23)
InChIKeyHTSQSJOTTDUEBY-UHFFFAOYSA-N
MW344.80 g/mol
LogP2.80
Rot. Bonds5

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

1-(2-chlorophenyl)-4-(2-methoxyethylamino)-7-methylpyrido[2,3-d]pyrimidin-2-one (PubChem CID 158585099) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-(2-methoxyethylamino)-7-methylpyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-(2-methoxyethylamino)-7-methylpyrido[2,3-d]pyrimidin-2-one
PubChem CID158585099
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name1-(2-chlorophenyl)-4-(2-methoxyethylamino)-7-methylpyrido[2,3-d]pyrimidin-2-one
SMILESCOCCNc1nc(=O)n(-c2ccccc2Cl)c2nc(C)ccc12
InChIInChI=1S/C17H17ClN4O2/c1-11-7-8-12-15(19-9-10-24-2)21-17(23)22(16(12)20-11)14-6-4-3-5-13(14)18/h3-8H,9-10H2,1-2H3,(H,19,21,23)
InChIKeyHTSQSJOTTDUEBY-UHFFFAOYSA-N
XLogP2.80
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-(2-methoxyethylamino)-7-methylpyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 1-(2-chlorophenyl)-4-(2-methoxyethylamino)-7-methylpyrido[2,3-d]pyrimidin-2-one (CID 158585099) is 1-(2-chlorophenyl)-4-(2-methoxyethylamino)-7-methylpyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-4-(2-methoxyethylamino)-7-methylpyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-4-(2-methoxyethylamino)-7-methylpyrido[2,3-d]pyrimidin-2-one is COCCNc1nc(=O)n(-c2ccccc2Cl)c2nc(C)ccc12.
What is the InChIKey of 1-(2-chlorophenyl)-4-(2-methoxyethylamino)-7-methylpyrido[2,3-d]pyrimidin-2-one?
The InChIKey is HTSQSJOTTDUEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c1-11-7-8-12-15(19-9-10-24-2)21-17(23)22(16(12)20-11)14-6-4-3-5-13(14)18/h3-8H,9-10H2,1-2H3,(H,19,21,23).
What are the key properties of 1-(2-chlorophenyl)-4-(2-methoxyethylamino)-7-methylpyrido[2,3-d]pyrimidin-2-one?
1-(2-chlorophenyl)-4-(2-methoxyethylamino)-7-methylpyrido[2,3-d]pyrimidin-2-one has a molecular weight of 344.80 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-(2-methoxyethylamino)-7-methylpyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 158585099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).