3-butyl-2-methyl-2-(4-methylphenyl)-1H-quinazolin-4-one

C20H24N2O — CID 54778482

IUPAC3-butyl-2-methyl-2-(4-methylphenyl)-1H-quinazolin-4-one
SMILESCCCCN1C(=O)c2ccccc2NC1(C)c1ccc(C)cc1
InChIInChI=1S/C20H24N2O/c1-4-5-14-22-19(23)17-8-6-7-9-18(17)21-20(22,3)16-12-10-15(2)11-13-16/h6-13,21H,4-5,14H2,1-3H3
InChIKeySIMWVLOFSSUSEJ-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.54
Rot. Bonds4

About 3-butyl-2-methyl-2-(4-methylphenyl)-1H-quinazolin-4-one

3-butyl-2-methyl-2-(4-methylphenyl)-1H-quinazolin-4-one (PubChem CID 54778482) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 3-butyl-2-methyl-2-(4-methylphenyl)-1H-quinazolin-4-one.

Molecular Properties

Compound Name3-butyl-2-methyl-2-(4-methylphenyl)-1H-quinazolin-4-one
PubChem CID54778482
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name3-butyl-2-methyl-2-(4-methylphenyl)-1H-quinazolin-4-one
SMILESCCCCN1C(=O)c2ccccc2NC1(C)c1ccc(C)cc1
InChIInChI=1S/C20H24N2O/c1-4-5-14-22-19(23)17-8-6-7-9-18(17)21-20(22,3)16-12-10-15(2)11-13-16/h6-13,21H,4-5,14H2,1-3H3
InChIKeySIMWVLOFSSUSEJ-UHFFFAOYSA-N
XLogP4.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-methyl-2-(4-methylphenyl)-1H-quinazolin-4-one?
The IUPAC name of 3-butyl-2-methyl-2-(4-methylphenyl)-1H-quinazolin-4-one (CID 54778482) is 3-butyl-2-methyl-2-(4-methylphenyl)-1H-quinazolin-4-one.
What is the SMILES notation for 3-butyl-2-methyl-2-(4-methylphenyl)-1H-quinazolin-4-one?
The canonical SMILES for 3-butyl-2-methyl-2-(4-methylphenyl)-1H-quinazolin-4-one is CCCCN1C(=O)c2ccccc2NC1(C)c1ccc(C)cc1.
What is the InChIKey of 3-butyl-2-methyl-2-(4-methylphenyl)-1H-quinazolin-4-one?
The InChIKey is SIMWVLOFSSUSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-4-5-14-22-19(23)17-8-6-7-9-18(17)21-20(22,3)16-12-10-15(2)11-13-16/h6-13,21H,4-5,14H2,1-3H3.
What are the key properties of 3-butyl-2-methyl-2-(4-methylphenyl)-1H-quinazolin-4-one?
3-butyl-2-methyl-2-(4-methylphenyl)-1H-quinazolin-4-one has a molecular weight of 308.43 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-methyl-2-(4-methylphenyl)-1H-quinazolin-4-one is sourced from PubChem (CID 54778482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).