2-(2-methoxyphenyl)-3-(2-phenylethyl)-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-one

C25H25N3O3 — CID 71105503

IUPAC2-(2-methoxyphenyl)-3-(2-phenylethyl)-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-one
SMILESCOc1ccccc1-c1nc2ccnc(OC(C)C)c2c(=O)n1CCc1ccccc1
InChIInChI=1S/C25H25N3O3/c1-17(2)31-24-22-20(13-15-26-24)27-23(19-11-7-8-12-21(19)30-3)28(25(22)29)16-14-18-9-5-4-6-10-18/h4-13,15,17H,14,16H2,1-3H3
InChIKeyHONVYSAMSYTKQP-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.50
Rot. Bonds7

About 2-(2-methoxyphenyl)-3-(2-phenylethyl)-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-one

2-(2-methoxyphenyl)-3-(2-phenylethyl)-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-one (PubChem CID 71105503) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-3-(2-phenylethyl)-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-3-(2-phenylethyl)-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-one
PubChem CID71105503
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name2-(2-methoxyphenyl)-3-(2-phenylethyl)-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-one
SMILESCOc1ccccc1-c1nc2ccnc(OC(C)C)c2c(=O)n1CCc1ccccc1
InChIInChI=1S/C25H25N3O3/c1-17(2)31-24-22-20(13-15-26-24)27-23(19-11-7-8-12-21(19)30-3)28(25(22)29)16-14-18-9-5-4-6-10-18/h4-13,15,17H,14,16H2,1-3H3
InChIKeyHONVYSAMSYTKQP-UHFFFAOYSA-N
XLogP4.50
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-hydroxyphenyl)-5-(2-methylpropoxy)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one
CID 135948806
5-methyl-2-(2-methylphenyl)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one
CID 58125003
2-(2-hydroxyphenyl)-5-(methylamino)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one
CID 135948942
2-(2-methoxyphenyl)-3-(2-phenylethyl)-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-4-one
CID 68934354
2-(2-fluoro-3-methoxyphenyl)-6-methyl-5-(2-methylpropyl)-3-(2-phenylethyl)pyrimidin-4-one
CID 68929895
2-(2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)-5-propan-2-yloxypyrimidin-4-one
CID 135712775
2-(2-methoxyphenyl)-5,5-dimethyl-3-(2-phenylethyl)-7,8-dihydro-6H-quinazolin-4-one
CID 68933564
1-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-oxopyrimidine-4-carboxylic acid
CID 142695967
1-(2,3-dimethoxyphenyl)-4-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 22516406
2-[2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxoquinazolin-2-yl]ethyl]-4-propan-2-yloxyisoindole-1,3-dione
CID 177159194
3-amino-2-(2-methoxyphenyl)quinazolin-4-one
CID 805125
3-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylphenyl)quinazolin-4-one
CID 17035993

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-3-(2-phenylethyl)-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(2-methoxyphenyl)-3-(2-phenylethyl)-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-one (CID 71105503) is 2-(2-methoxyphenyl)-3-(2-phenylethyl)-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2-methoxyphenyl)-3-(2-phenylethyl)-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(2-methoxyphenyl)-3-(2-phenylethyl)-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-one is COc1ccccc1-c1nc2ccnc(OC(C)C)c2c(=O)n1CCc1ccccc1.
What is the InChIKey of 2-(2-methoxyphenyl)-3-(2-phenylethyl)-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-one?
The InChIKey is HONVYSAMSYTKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-17(2)31-24-22-20(13-15-26-24)27-23(19-11-7-8-12-21(19)30-3)28(25(22)29)16-14-18-9-5-4-6-10-18/h4-13,15,17H,14,16H2,1-3H3.
What are the key properties of 2-(2-methoxyphenyl)-3-(2-phenylethyl)-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-one?
2-(2-methoxyphenyl)-3-(2-phenylethyl)-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-one has a molecular weight of 415.49 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-3-(2-phenylethyl)-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 71105503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).