2-[4-(4-methylphenoxy)phenyl]-3H-quinazolin-4-one

C21H16N2O2 — CID 168552737

IUPAC2-[4-(4-methylphenoxy)phenyl]-3H-quinazolin-4-one
SMILESCc1ccc(Oc2ccc(-c3nc4ccccc4c(=O)[nH]3)cc2)cc1
InChIInChI=1S/C21H16N2O2/c1-14-6-10-16(11-7-14)25-17-12-8-15(9-13-17)20-22-19-5-3-2-4-18(19)21(24)23-20/h2-13H,1H3,(H,22,23,24)
InChIKeyIAISSHYWHBQDCU-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.69
Rot. Bonds3

About 2-[4-(4-methylphenoxy)phenyl]-3H-quinazolin-4-one

2-[4-(4-methylphenoxy)phenyl]-3H-quinazolin-4-one (PubChem CID 168552737) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[4-(4-methylphenoxy)phenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[4-(4-methylphenoxy)phenyl]-3H-quinazolin-4-one
PubChem CID168552737
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name2-[4-(4-methylphenoxy)phenyl]-3H-quinazolin-4-one
SMILESCc1ccc(Oc2ccc(-c3nc4ccccc4c(=O)[nH]3)cc2)cc1
InChIInChI=1S/C21H16N2O2/c1-14-6-10-16(11-7-14)25-17-12-8-15(9-13-17)20-22-19-5-3-2-4-18(19)21(24)23-20/h2-13H,1H3,(H,22,23,24)
InChIKeyIAISSHYWHBQDCU-UHFFFAOYSA-N
XLogP4.69
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-phenoxy-2-phenyl-3H-quinazolin-4-one
CID 166196696
2-(4-pyrazin-2-yloxyphenyl)-3H-quinazolin-4-one
CID 168553040
2-(4-tert-butylphenyl)-3H-quinazolin-4-one
CID 135443955
2-[4-(3-methoxypropoxy)phenyl]-3H-quinazolin-4-one
CID 168551806
2-(4-bromophenyl)-3H-quinazolin-4-one
CID 135421564
2-[4-[2-(4-tert-butylphenoxy)ethoxy]phenyl]-3H-quinazolin-4-one
CID 137045271
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
methyl 4-(4-oxo-3H-quinazolin-2-yl)benzoate
CID 135476431
4-[4-(4-oxo-3H-quinazolin-2-yl)phenoxy]butanenitrile
CID 168552456
2-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-3H-quinazolin-4-one
CID 168551652
2-(3-methoxyphenyl)-3H-quinazolin-4-one
CID 135486399
2-[4-(propan-2-yloxymethyl)phenyl]-3H-quinazolin-4-one
CID 168551161

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylphenoxy)phenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[4-(4-methylphenoxy)phenyl]-3H-quinazolin-4-one (CID 168552737) is 2-[4-(4-methylphenoxy)phenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[4-(4-methylphenoxy)phenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[4-(4-methylphenoxy)phenyl]-3H-quinazolin-4-one is Cc1ccc(Oc2ccc(-c3nc4ccccc4c(=O)[nH]3)cc2)cc1.
What is the InChIKey of 2-[4-(4-methylphenoxy)phenyl]-3H-quinazolin-4-one?
The InChIKey is IAISSHYWHBQDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c1-14-6-10-16(11-7-14)25-17-12-8-15(9-13-17)20-22-19-5-3-2-4-18(19)21(24)23-20/h2-13H,1H3,(H,22,23,24).
What are the key properties of 2-[4-(4-methylphenoxy)phenyl]-3H-quinazolin-4-one?
2-[4-(4-methylphenoxy)phenyl]-3H-quinazolin-4-one has a molecular weight of 328.37 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylphenoxy)phenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 168552737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).