2-(4-methoxyphenyl)-3-(2-phenoxyethyl)pyrido[4,3-d]pyrimidin-4-one

C22H19N3O3 — CID 91800566

IUPAC2-(4-methoxyphenyl)-3-(2-phenoxyethyl)pyrido[4,3-d]pyrimidin-4-one
SMILESCOc1ccc(-c2nc3ccncc3c(=O)n2CCOc2ccccc2)cc1
InChIInChI=1S/C22H19N3O3/c1-27-17-9-7-16(8-10-17)21-24-20-11-12-23-15-19(20)22(26)25(21)13-14-28-18-5-3-2-4-6-18/h2-12,15H,13-14H2,1H3
InChIKeyBNGNVHGQPRZEII-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.55
Rot. Bonds6

About 2-(4-methoxyphenyl)-3-(2-phenoxyethyl)pyrido[4,3-d]pyrimidin-4-one

2-(4-methoxyphenyl)-3-(2-phenoxyethyl)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 91800566) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-(2-phenoxyethyl)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-(2-phenoxyethyl)pyrido[4,3-d]pyrimidin-4-one
PubChem CID91800566
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name2-(4-methoxyphenyl)-3-(2-phenoxyethyl)pyrido[4,3-d]pyrimidin-4-one
SMILESCOc1ccc(-c2nc3ccncc3c(=O)n2CCOc2ccccc2)cc1
InChIInChI=1S/C22H19N3O3/c1-27-17-9-7-16(8-10-17)21-24-20-11-12-23-15-19(20)22(26)25(21)13-14-28-18-5-3-2-4-6-18/h2-12,15H,13-14H2,1H3
InChIKeyBNGNVHGQPRZEII-UHFFFAOYSA-N
XLogP3.55
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-(2-phenoxyethyl)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(4-methoxyphenyl)-3-(2-phenoxyethyl)pyrido[4,3-d]pyrimidin-4-one (CID 91800566) is 2-(4-methoxyphenyl)-3-(2-phenoxyethyl)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-(2-phenoxyethyl)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)-3-(2-phenoxyethyl)pyrido[4,3-d]pyrimidin-4-one is COc1ccc(-c2nc3ccncc3c(=O)n2CCOc2ccccc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-(2-phenoxyethyl)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is BNGNVHGQPRZEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-27-17-9-7-16(8-10-17)21-24-20-11-12-23-15-19(20)22(26)25(21)13-14-28-18-5-3-2-4-6-18/h2-12,15H,13-14H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-3-(2-phenoxyethyl)pyrido[4,3-d]pyrimidin-4-one?
2-(4-methoxyphenyl)-3-(2-phenoxyethyl)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 373.41 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-(2-phenoxyethyl)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 91800566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).