2-phenyl-3-(2H-tetrazol-5-yl)quinazolin-4-one

C15H10N6O — CID 13267904

IUPAC2-phenyl-3-(2H-tetrazol-5-yl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2)n1-c1nn[nH]n1
InChIInChI=1S/C15H10N6O/c22-14-11-8-4-5-9-12(11)16-13(10-6-2-1-3-7-10)21(14)15-17-19-20-18-15/h1-9H,(H,17,18,19,20)
InChIKeyLWKJXTDKPUDKHT-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.57
Rot. Bonds2

About 2-phenyl-3-(2H-tetrazol-5-yl)quinazolin-4-one

2-phenyl-3-(2H-tetrazol-5-yl)quinazolin-4-one (PubChem CID 13267904) has the molecular formula C15H10N6O and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-phenyl-3-(2H-tetrazol-5-yl)quinazolin-4-one.

Molecular Properties

Compound Name2-phenyl-3-(2H-tetrazol-5-yl)quinazolin-4-one
PubChem CID13267904
Molecular FormulaC15H10N6O
Molecular Weight290.29 g/mol
Exact Mass290.09
IUPAC Name2-phenyl-3-(2H-tetrazol-5-yl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2)n1-c1nn[nH]n1
InChIInChI=1S/C15H10N6O/c22-14-11-8-4-5-9-12(11)16-13(10-6-2-1-3-7-10)21(14)15-17-19-20-18-15/h1-9H,(H,17,18,19,20)
InChIKeyLWKJXTDKPUDKHT-UHFFFAOYSA-N
XLogP1.57
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Phenyl-4(3H)-Quinazolinone
CID 135400456
3-Amino-2-phenyl-4(3H)-quinazolinone
CID 722876
3-Amino-2-(p-tolyl)quinazolin-4(3H)-one
CID 854350
3-Amino-2-benzyl-3,4-dihydroquinazolin-4-one
CID 561230
3-Amino-2-(m-tolyl)quinazolin-4(3H)-one
CID 777429
3-amino-2-(4-fluorophenyl)quinazolin-4(3H)-one
CID 4052011
3-Benzyl-2-hydrazino-3H-quinazolin-4-one
CID 791494
2-(2-aminophenyl)quinazolin-4(1H)-one
CID 135412953
3-(5-Cyclopropyl-1,3,4-thiadiazol-2-yl)-2-phenylquinazolin-4-one
CID 137649343
3-(2H-Tetrazol-5-yl)-4(3H)-quinazolinone
CID 63304
2-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazolin-9-one
CID 12724799
9-oxo-N-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazoline-2-carboxamide
CID 12724804

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(2H-tetrazol-5-yl)quinazolin-4-one?
The IUPAC name of 2-phenyl-3-(2H-tetrazol-5-yl)quinazolin-4-one (CID 13267904) is 2-phenyl-3-(2H-tetrazol-5-yl)quinazolin-4-one.
What is the SMILES notation for 2-phenyl-3-(2H-tetrazol-5-yl)quinazolin-4-one?
The canonical SMILES for 2-phenyl-3-(2H-tetrazol-5-yl)quinazolin-4-one is O=c1c2ccccc2nc(-c2ccccc2)n1-c1nn[nH]n1.
What is the InChIKey of 2-phenyl-3-(2H-tetrazol-5-yl)quinazolin-4-one?
The InChIKey is LWKJXTDKPUDKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N6O/c22-14-11-8-4-5-9-12(11)16-13(10-6-2-1-3-7-10)21(14)15-17-19-20-18-15/h1-9H,(H,17,18,19,20).
What are the key properties of 2-phenyl-3-(2H-tetrazol-5-yl)quinazolin-4-one?
2-phenyl-3-(2H-tetrazol-5-yl)quinazolin-4-one has a molecular weight of 290.29 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(2H-tetrazol-5-yl)quinazolin-4-one is sourced from PubChem (CID 13267904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).