2-(2-chlorophenyl)-5-methoxy-3H-pyrido[3,4-d]pyrimidin-4-one

C14H10ClN3O2 — CID 136959963

IUPAC2-(2-chlorophenyl)-5-methoxy-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCOc1cncc2nc(-c3ccccc3Cl)[nH]c(=O)c12
InChIInChI=1S/C14H10ClN3O2/c1-20-11-7-16-6-10-12(11)14(19)18-13(17-10)8-4-2-3-5-9(8)15/h2-7H,1H3,(H,17,18,19)
InChIKeyWAJVTKOJTXTDIQ-UHFFFAOYSA-N
MW287.71 g/mol
LogP2.65
Rot. Bonds2

About 2-(2-chlorophenyl)-5-methoxy-3H-pyrido[3,4-d]pyrimidin-4-one

2-(2-chlorophenyl)-5-methoxy-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 136959963) has the molecular formula C14H10ClN3O2 and a molecular weight of 287.71 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-methoxy-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-methoxy-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID136959963
Molecular FormulaC14H10ClN3O2
Molecular Weight287.71 g/mol
Exact Mass287.05
IUPAC Name2-(2-chlorophenyl)-5-methoxy-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCOc1cncc2nc(-c3ccccc3Cl)[nH]c(=O)c12
InChIInChI=1S/C14H10ClN3O2/c1-20-11-7-16-6-10-12(11)14(19)18-13(17-10)8-4-2-3-5-9(8)15/h2-7H,1H3,(H,17,18,19)
InChIKeyWAJVTKOJTXTDIQ-UHFFFAOYSA-N
XLogP2.65
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-methoxy-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(2-chlorophenyl)-5-methoxy-3H-pyrido[3,4-d]pyrimidin-4-one (CID 136959963) is 2-(2-chlorophenyl)-5-methoxy-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2-chlorophenyl)-5-methoxy-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(2-chlorophenyl)-5-methoxy-3H-pyrido[3,4-d]pyrimidin-4-one is COc1cncc2nc(-c3ccccc3Cl)[nH]c(=O)c12.
What is the InChIKey of 2-(2-chlorophenyl)-5-methoxy-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is WAJVTKOJTXTDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2/c1-20-11-7-16-6-10-12(11)14(19)18-13(17-10)8-4-2-3-5-9(8)15/h2-7H,1H3,(H,17,18,19).
What are the key properties of 2-(2-chlorophenyl)-5-methoxy-3H-pyrido[3,4-d]pyrimidin-4-one?
2-(2-chlorophenyl)-5-methoxy-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 287.71 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-methoxy-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136959963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).