7-methyl-2-[(4-phenylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one

C22H18N2O2 — CID 2123521

IUPAC7-methyl-2-[(4-phenylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(COc3ccc(-c4ccccc4)cc3)cc(=O)n2c1
InChIInChI=1S/C22H18N2O2/c1-16-7-12-21-23-19(13-22(25)24(21)14-16)15-26-20-10-8-18(9-11-20)17-5-3-2-4-6-17/h2-14H,15H2,1H3
InChIKeyLIPRLEUKXFRUPP-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.25
Rot. Bonds4

About 7-methyl-2-[(4-phenylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one

7-methyl-2-[(4-phenylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 2123521) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 7-methyl-2-[(4-phenylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-2-[(4-phenylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID2123521
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name7-methyl-2-[(4-phenylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(COc3ccc(-c4ccccc4)cc3)cc(=O)n2c1
InChIInChI=1S/C22H18N2O2/c1-16-7-12-21-23-19(13-22(25)24(21)14-16)15-26-20-10-8-18(9-11-20)17-5-3-2-4-6-17/h2-14H,15H2,1H3
InChIKeyLIPRLEUKXFRUPP-UHFFFAOYSA-N
XLogP4.25
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[(4-phenylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-methyl-2-[(4-phenylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 2123521) is 7-methyl-2-[(4-phenylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-2-[(4-phenylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-methyl-2-[(4-phenylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(COc3ccc(-c4ccccc4)cc3)cc(=O)n2c1.
What is the InChIKey of 7-methyl-2-[(4-phenylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is LIPRLEUKXFRUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-16-7-12-21-23-19(13-22(25)24(21)14-16)15-26-20-10-8-18(9-11-20)17-5-3-2-4-6-17/h2-14H,15H2,1H3.
What are the key properties of 7-methyl-2-[(4-phenylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one?
7-methyl-2-[(4-phenylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 342.40 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[(4-phenylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 2123521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).