3-benzyl-6-(2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one

C21H17N3O2 — CID 134808334

IUPAC3-benzyl-6-(2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
SMILESCOc1ccccc1-c1ccc2ncn(Cc3ccccc3)c(=O)c2n1
InChIInChI=1S/C21H17N3O2/c1-26-19-10-6-5-9-16(19)17-11-12-18-20(23-17)21(25)24(14-22-18)13-15-7-3-2-4-8-15/h2-12,14H,13H2,1H3
InChIKeyPQUFNIFFAAHWEA-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.52
Rot. Bonds4

About 3-benzyl-6-(2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one

3-benzyl-6-(2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one (PubChem CID 134808334) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 3-benzyl-6-(2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-benzyl-6-(2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
PubChem CID134808334
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name3-benzyl-6-(2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
SMILESCOc1ccccc1-c1ccc2ncn(Cc3ccccc3)c(=O)c2n1
InChIInChI=1S/C21H17N3O2/c1-26-19-10-6-5-9-16(19)17-11-12-18-20(23-17)21(25)24(14-22-18)13-15-7-3-2-4-8-15/h2-12,14H,13H2,1H3
InChIKeyPQUFNIFFAAHWEA-UHFFFAOYSA-N
XLogP3.52
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-(2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-benzyl-6-(2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one (CID 134808334) is 3-benzyl-6-(2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-benzyl-6-(2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-benzyl-6-(2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one is COc1ccccc1-c1ccc2ncn(Cc3ccccc3)c(=O)c2n1.
What is the InChIKey of 3-benzyl-6-(2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is PQUFNIFFAAHWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-26-19-10-6-5-9-16(19)17-11-12-18-20(23-17)21(25)24(14-22-18)13-15-7-3-2-4-8-15/h2-12,14H,13H2,1H3.
What are the key properties of 3-benzyl-6-(2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one?
3-benzyl-6-(2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 343.39 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-(2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 134808334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).