5-methyl-2-(2-methylphenyl)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one

C23H21N3O — CID 58125003

IUPAC5-methyl-2-(2-methylphenyl)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one
SMILESCc1ccccc1-c1nc2ccnc(C)c2c(=O)n1CCc1ccccc1
InChIInChI=1S/C23H21N3O/c1-16-8-6-7-11-19(16)22-25-20-12-14-24-17(2)21(20)23(27)26(22)15-13-18-9-4-3-5-10-18/h3-12,14H,13,15H2,1-2H3
InChIKeyKEKAHWBWOPMVQM-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.32
Rot. Bonds4

About 5-methyl-2-(2-methylphenyl)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one

5-methyl-2-(2-methylphenyl)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 58125003) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 5-methyl-2-(2-methylphenyl)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-2-(2-methylphenyl)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one
PubChem CID58125003
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name5-methyl-2-(2-methylphenyl)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one
SMILESCc1ccccc1-c1nc2ccnc(C)c2c(=O)n1CCc1ccccc1
InChIInChI=1S/C23H21N3O/c1-16-8-6-7-11-19(16)22-25-20-12-14-24-17(2)21(20)23(27)26(22)15-13-18-9-4-3-5-10-18/h3-12,14H,13,15H2,1-2H3
InChIKeyKEKAHWBWOPMVQM-UHFFFAOYSA-N
XLogP4.32
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-methylphenyl)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-methyl-2-(2-methylphenyl)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one (CID 58125003) is 5-methyl-2-(2-methylphenyl)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-methyl-2-(2-methylphenyl)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-methyl-2-(2-methylphenyl)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one is Cc1ccccc1-c1nc2ccnc(C)c2c(=O)n1CCc1ccccc1.
What is the InChIKey of 5-methyl-2-(2-methylphenyl)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is KEKAHWBWOPMVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-16-8-6-7-11-19(16)22-25-20-12-14-24-17(2)21(20)23(27)26(22)15-13-18-9-4-3-5-10-18/h3-12,14H,13,15H2,1-2H3.
What are the key properties of 5-methyl-2-(2-methylphenyl)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one?
5-methyl-2-(2-methylphenyl)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 355.44 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-methylphenyl)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 58125003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).