2-[(4-methoxyphenyl)methyl]-4-(5-phenyl-1,2,4-oxadiazol-3-yl)-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione

C24H22N4O4 — CID 91890492

IUPAC2-[(4-methoxyphenyl)methyl]-4-(5-phenyl-1,2,4-oxadiazol-3-yl)-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1ccc(Cn2c(=O)c(-c3noc(-c4ccccc4)n3)c3n(c2=O)CCCC3)cc1
InChIInChI=1S/C24H22N4O4/c1-31-18-12-10-16(11-13-18)15-28-23(29)20(19-9-5-6-14-27(19)24(28)30)21-25-22(32-26-21)17-7-3-2-4-8-17/h2-4,7-8,10-13H,5-6,9,14-15H2,1H3
InChIKeyVWKIEYJUQBCDAD-UHFFFAOYSA-N
MW430.46 g/mol
LogP3.12
Rot. Bonds5

About 2-[(4-methoxyphenyl)methyl]-4-(5-phenyl-1,2,4-oxadiazol-3-yl)-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione

2-[(4-methoxyphenyl)methyl]-4-(5-phenyl-1,2,4-oxadiazol-3-yl)-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 91890492) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-4-(5-phenyl-1,2,4-oxadiazol-3-yl)-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-4-(5-phenyl-1,2,4-oxadiazol-3-yl)-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione
PubChem CID91890492
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Name2-[(4-methoxyphenyl)methyl]-4-(5-phenyl-1,2,4-oxadiazol-3-yl)-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1ccc(Cn2c(=O)c(-c3noc(-c4ccccc4)n3)c3n(c2=O)CCCC3)cc1
InChIInChI=1S/C24H22N4O4/c1-31-18-12-10-16(11-13-18)15-28-23(29)20(19-9-5-6-14-27(19)24(28)30)21-25-22(32-26-21)17-7-3-2-4-8-17/h2-4,7-8,10-13H,5-6,9,14-15H2,1H3
InChIKeyVWKIEYJUQBCDAD-UHFFFAOYSA-N
XLogP3.12
TPSA92.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[(4-methoxyphenyl)methyl]-4-(5-phenyl-1,2,4-oxadiazol-3-yl)-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-4-(5-phenyl-1,2,4-oxadiazol-3-yl)-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-4-(5-phenyl-1,2,4-oxadiazol-3-yl)-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione (CID 91890492) is 2-[(4-methoxyphenyl)methyl]-4-(5-phenyl-1,2,4-oxadiazol-3-yl)-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-4-(5-phenyl-1,2,4-oxadiazol-3-yl)-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-4-(5-phenyl-1,2,4-oxadiazol-3-yl)-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione is COc1ccc(Cn2c(=O)c(-c3noc(-c4ccccc4)n3)c3n(c2=O)CCCC3)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-4-(5-phenyl-1,2,4-oxadiazol-3-yl)-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione?
The InChIKey is VWKIEYJUQBCDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-31-18-12-10-16(11-13-18)15-28-23(29)20(19-9-5-6-14-27(19)24(28)30)21-25-22(32-26-21)17-7-3-2-4-8-17/h2-4,7-8,10-13H,5-6,9,14-15H2,1H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-4-(5-phenyl-1,2,4-oxadiazol-3-yl)-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione?
2-[(4-methoxyphenyl)methyl]-4-(5-phenyl-1,2,4-oxadiazol-3-yl)-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione has a molecular weight of 430.46 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-4-(5-phenyl-1,2,4-oxadiazol-3-yl)-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 91890492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).