2-(4-methoxyphenyl)-3-(2-methylpropyl)quinazolin-4-one

C19H20N2O2 — CID 929398

IUPAC2-(4-methoxyphenyl)-3-(2-methylpropyl)quinazolin-4-one
SMILESCOc1ccc(-c2nc3ccccc3c(=O)n2CC(C)C)cc1
InChIInChI=1S/C19H20N2O2/c1-13(2)12-21-18(14-8-10-15(23-3)11-9-14)20-17-7-5-4-6-16(17)19(21)22/h4-11,13H,12H2,1-3H3
InChIKeyAFYCFKKAJXWRSW-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.73
Rot. Bonds4

About 2-(4-methoxyphenyl)-3-(2-methylpropyl)quinazolin-4-one

2-(4-methoxyphenyl)-3-(2-methylpropyl)quinazolin-4-one (PubChem CID 929398) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-(2-methylpropyl)quinazolin-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-(2-methylpropyl)quinazolin-4-one
PubChem CID929398
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name2-(4-methoxyphenyl)-3-(2-methylpropyl)quinazolin-4-one
SMILESCOc1ccc(-c2nc3ccccc3c(=O)n2CC(C)C)cc1
InChIInChI=1S/C19H20N2O2/c1-13(2)12-21-18(14-8-10-15(23-3)11-9-14)20-17-7-5-4-6-16(17)19(21)22/h4-11,13H,12H2,1-3H3
InChIKeyAFYCFKKAJXWRSW-UHFFFAOYSA-N
XLogP3.73
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-(2-methylpropyl)quinazolin-4-one?
The IUPAC name of 2-(4-methoxyphenyl)-3-(2-methylpropyl)quinazolin-4-one (CID 929398) is 2-(4-methoxyphenyl)-3-(2-methylpropyl)quinazolin-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-(2-methylpropyl)quinazolin-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)-3-(2-methylpropyl)quinazolin-4-one is COc1ccc(-c2nc3ccccc3c(=O)n2CC(C)C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-(2-methylpropyl)quinazolin-4-one?
The InChIKey is AFYCFKKAJXWRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-13(2)12-21-18(14-8-10-15(23-3)11-9-14)20-17-7-5-4-6-16(17)19(21)22/h4-11,13H,12H2,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-3-(2-methylpropyl)quinazolin-4-one?
2-(4-methoxyphenyl)-3-(2-methylpropyl)quinazolin-4-one has a molecular weight of 308.38 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-(2-methylpropyl)quinazolin-4-one is sourced from PubChem (CID 929398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).