2-(4-tert-butylphenyl)-2,3-dihydro-1H-quinazolin-4-one

C18H20N2O — CID 4826644

IUPAC2-(4-tert-butylphenyl)-2,3-dihydro-1H-quinazolin-4-one
SMILESCC(C)(C)c1ccc(C2NC(=O)c3ccccc3N2)cc1
InChIInChI=1S/C18H20N2O/c1-18(2,3)13-10-8-12(9-11-13)16-19-15-7-5-4-6-14(15)17(21)20-16/h4-11,16,19H,1-3H3,(H,20,21)
InChIKeyZKKFHBDYTOSSFW-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.84
Rot. Bonds1

About 2-(4-tert-butylphenyl)-2,3-dihydro-1H-quinazolin-4-one

2-(4-tert-butylphenyl)-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 4826644) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-2,3-dihydro-1H-quinazolin-4-one
PubChem CID4826644
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-(4-tert-butylphenyl)-2,3-dihydro-1H-quinazolin-4-one
SMILESCC(C)(C)c1ccc(C2NC(=O)c3ccccc3N2)cc1
InChIInChI=1S/C18H20N2O/c1-18(2,3)13-10-8-12(9-11-13)16-19-15-7-5-4-6-14(15)17(21)20-16/h4-11,16,19H,1-3H3,(H,20,21)
InChIKeyZKKFHBDYTOSSFW-UHFFFAOYSA-N
XLogP3.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of 2-(4-tert-butylphenyl)-2,3-dihydro-1H-quinazolin-4-one (CID 4826644) is 2-(4-tert-butylphenyl)-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for 2-(4-tert-butylphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for 2-(4-tert-butylphenyl)-2,3-dihydro-1H-quinazolin-4-one is CC(C)(C)c1ccc(C2NC(=O)c3ccccc3N2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is ZKKFHBDYTOSSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-18(2,3)13-10-8-12(9-11-13)16-19-15-7-5-4-6-14(15)17(21)20-16/h4-11,16,19H,1-3H3,(H,20,21).
What are the key properties of 2-(4-tert-butylphenyl)-2,3-dihydro-1H-quinazolin-4-one?
2-(4-tert-butylphenyl)-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 280.37 g/mol, XLogP of 3.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 4826644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).