3-(4-methoxyphenyl)-2-propylquinazolin-4-one

C18H18N2O2 — CID 828252

IUPAC3-(4-methoxyphenyl)-2-propylquinazolin-4-one
SMILESCCCc1nc2ccccc2c(=O)n1-c1ccc(OC)cc1
InChIInChI=1S/C18H18N2O2/c1-3-6-17-19-16-8-5-4-7-15(16)18(21)20(17)13-9-11-14(22-2)12-10-13/h4-5,7-12H,3,6H2,1-2H3
InChIKeyDBXVYGJZQBGTEM-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.35
Rot. Bonds4

About 3-(4-methoxyphenyl)-2-propylquinazolin-4-one

3-(4-methoxyphenyl)-2-propylquinazolin-4-one (PubChem CID 828252) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-propylquinazolin-4-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-propylquinazolin-4-one
PubChem CID828252
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name3-(4-methoxyphenyl)-2-propylquinazolin-4-one
SMILESCCCc1nc2ccccc2c(=O)n1-c1ccc(OC)cc1
InChIInChI=1S/C18H18N2O2/c1-3-6-17-19-16-8-5-4-7-15(16)18(21)20(17)13-9-11-14(22-2)12-10-13/h4-5,7-12H,3,6H2,1-2H3
InChIKeyDBXVYGJZQBGTEM-UHFFFAOYSA-N
XLogP3.35
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-propylquinazolin-4-one?
The IUPAC name of 3-(4-methoxyphenyl)-2-propylquinazolin-4-one (CID 828252) is 3-(4-methoxyphenyl)-2-propylquinazolin-4-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-propylquinazolin-4-one?
The canonical SMILES for 3-(4-methoxyphenyl)-2-propylquinazolin-4-one is CCCc1nc2ccccc2c(=O)n1-c1ccc(OC)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-propylquinazolin-4-one?
The InChIKey is DBXVYGJZQBGTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-3-6-17-19-16-8-5-4-7-15(16)18(21)20(17)13-9-11-14(22-2)12-10-13/h4-5,7-12H,3,6H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-2-propylquinazolin-4-one?
3-(4-methoxyphenyl)-2-propylquinazolin-4-one has a molecular weight of 294.35 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-propylquinazolin-4-one is sourced from PubChem (CID 828252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).