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

C15H12ClN3O2 — CID 136959906

IUPAC2-(2-chlorophenyl)-5-ethoxy-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCCOc1cncc2nc(-c3ccccc3Cl)[nH]c(=O)c12
InChIInChI=1S/C15H12ClN3O2/c1-2-21-12-8-17-7-11-13(12)15(20)19-14(18-11)9-5-3-4-6-10(9)16/h3-8H,2H2,1H3,(H,18,19,20)
InChIKeyZVUZVKHQCJKDBQ-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.04
Rot. Bonds3

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

2-(2-chlorophenyl)-5-ethoxy-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 136959906) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-ethoxy-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-ethoxy-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID136959906
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name2-(2-chlorophenyl)-5-ethoxy-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCCOc1cncc2nc(-c3ccccc3Cl)[nH]c(=O)c12
InChIInChI=1S/C15H12ClN3O2/c1-2-21-12-8-17-7-11-13(12)15(20)19-14(18-11)9-5-3-4-6-10(9)16/h3-8H,2H2,1H3,(H,18,19,20)
InChIKeyZVUZVKHQCJKDBQ-UHFFFAOYSA-N
XLogP3.04
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.04
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-ethoxy-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(2-chlorophenyl)-5-ethoxy-3H-pyrido[3,4-d]pyrimidin-4-one (CID 136959906) is 2-(2-chlorophenyl)-5-ethoxy-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2-chlorophenyl)-5-ethoxy-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(2-chlorophenyl)-5-ethoxy-3H-pyrido[3,4-d]pyrimidin-4-one is CCOc1cncc2nc(-c3ccccc3Cl)[nH]c(=O)c12.
What is the InChIKey of 2-(2-chlorophenyl)-5-ethoxy-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is ZVUZVKHQCJKDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c1-2-21-12-8-17-7-11-13(12)15(20)19-14(18-11)9-5-3-4-6-10(9)16/h3-8H,2H2,1H3,(H,18,19,20).
What are the key properties of 2-(2-chlorophenyl)-5-ethoxy-3H-pyrido[3,4-d]pyrimidin-4-one?
2-(2-chlorophenyl)-5-ethoxy-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 301.73 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-ethoxy-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136959906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).