2-(4-tert-butylphenyl)-3H-quinazolin-4-one

C18H18N2O — CID 135443955

IUPAC2-(4-tert-butylphenyl)-3H-quinazolin-4-one
SMILESCC(C)(C)c1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C18H18N2O/c1-18(2,3)13-10-8-12(9-11-13)16-19-15-7-5-4-6-14(15)17(21)20-16/h4-11H,1-3H3,(H,19,20,21)
InChIKeyQTABKBZRAZXDQK-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.89
Rot. Bonds1

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

2-(4-tert-butylphenyl)-3H-quinazolin-4-one (PubChem CID 135443955) has the molecular formula C18H18N2O and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-3H-quinazolin-4-one
PubChem CID135443955
Molecular FormulaC18H18N2O
Molecular Weight278.35 g/mol
Exact Mass278.14
IUPAC Name2-(4-tert-butylphenyl)-3H-quinazolin-4-one
SMILESCC(C)(C)c1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C18H18N2O/c1-18(2,3)13-10-8-12(9-11-13)16-19-15-7-5-4-6-14(15)17(21)20-16/h4-11H,1-3H3,(H,19,20,21)
InChIKeyQTABKBZRAZXDQK-UHFFFAOYSA-N
XLogP3.89
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[2-(4-tert-butylphenoxy)ethoxy]phenyl]-3H-quinazolin-4-one
CID 137045271
2-(4-bromophenyl)-3H-quinazolin-4-one
CID 135421564
2-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-3H-quinazolin-4-one
CID 168550883
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-[4-(4-methylphenoxy)phenyl]-3H-quinazolin-4-one
CID 168552737
2-[4-(3,5-dichlorophenyl)phenyl]-3H-quinazolin-4-one
CID 168551464
2-[4-[1-(dimethylamino)ethyl]phenyl]-3H-quinazolin-4-one
CID 168550887
methyl 4-(4-oxo-3H-quinazolin-2-yl)benzoate
CID 135476431
2-[4-(propan-2-yloxymethyl)phenyl]-3H-quinazolin-4-one
CID 168551161
2-(3,5-dichlorophenyl)-3H-quinazolin-4-one
CID 168550718
3-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]prop-2-enoic acid
CID 168551832
2-(4-pyrimidin-4-ylphenyl)-3H-quinazolin-4-one
CID 168552833

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(4-tert-butylphenyl)-3H-quinazolin-4-one (CID 135443955) is 2-(4-tert-butylphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(4-tert-butylphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(4-tert-butylphenyl)-3H-quinazolin-4-one is CC(C)(C)c1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-3H-quinazolin-4-one?
The InChIKey is QTABKBZRAZXDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-18(2,3)13-10-8-12(9-11-13)16-19-15-7-5-4-6-14(15)17(21)20-16/h4-11H,1-3H3,(H,19,20,21).
What are the key properties of 2-(4-tert-butylphenyl)-3H-quinazolin-4-one?
2-(4-tert-butylphenyl)-3H-quinazolin-4-one has a molecular weight of 278.35 g/mol, XLogP of 3.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 135443955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).