2-[(6-amino-4-oxo-3H-quinazolin-2-yl)oxy]benzonitrile

C15H10N4O2 — CID 136809460

IUPAC2-[(6-amino-4-oxo-3H-quinazolin-2-yl)oxy]benzonitrile
SMILESN#Cc1ccccc1Oc1nc2ccc(N)cc2c(=O)[nH]1
InChIInChI=1S/C15H10N4O2/c16-8-9-3-1-2-4-13(9)21-15-18-12-6-5-10(17)7-11(12)14(20)19-15/h1-7H,17H2,(H,18,19,20)
InChIKeyPVBHVSADYMQWCL-UHFFFAOYSA-N
MW278.27 g/mol
LogP2.17
Rot. Bonds2

About 2-[(6-amino-4-oxo-3H-quinazolin-2-yl)oxy]benzonitrile

2-[(6-amino-4-oxo-3H-quinazolin-2-yl)oxy]benzonitrile (PubChem CID 136809460) has the molecular formula C15H10N4O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is 2-[(6-amino-4-oxo-3H-quinazolin-2-yl)oxy]benzonitrile.

Molecular Properties

Compound Name2-[(6-amino-4-oxo-3H-quinazolin-2-yl)oxy]benzonitrile
PubChem CID136809460
Molecular FormulaC15H10N4O2
Molecular Weight278.27 g/mol
Exact Mass278.08
IUPAC Name2-[(6-amino-4-oxo-3H-quinazolin-2-yl)oxy]benzonitrile
SMILESN#Cc1ccccc1Oc1nc2ccc(N)cc2c(=O)[nH]1
InChIInChI=1S/C15H10N4O2/c16-8-9-3-1-2-4-13(9)21-15-18-12-6-5-10(17)7-11(12)14(20)19-15/h1-7H,17H2,(H,18,19,20)
InChIKeyPVBHVSADYMQWCL-UHFFFAOYSA-N
XLogP2.17
TPSA104.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-amino-2-(2-methylphenoxy)-3H-quinazolin-4-one
CID 136809447
6-amino-2-[2-(hydroxymethyl)phenoxy]-3H-quinazolin-4-one
CID 136809534
6-amino-2-[(2-methyl-3-pyridinyl)oxy]-3H-quinazolin-4-one
CID 136809559
6-amino-2-(2-bromo-5-fluorophenoxy)-3H-quinazolin-4-one
CID 136809564
6-amino-2-(oxetan-3-yloxy)-3H-quinazolin-4-one
CID 136809586
1-(6-amino-4-oxo-3H-quinazolin-2-yl)pyrrole-2-carbonitrile
CID 136809425
6-amino-2-(3-methylbutan-2-yloxy)-3H-quinazolin-4-one
CID 136809560
6-amino-2-(3-bromo-5-fluorophenoxy)-3H-quinazolin-4-one
CID 136809561
6-amino-2-(2,5-dimethylpyrazol-3-yl)oxy-3H-quinazolin-4-one
CID 136809563
6-amino-2-cycloheptyloxy-3H-quinazolin-4-one
CID 136809510
2-(2,6-diaminophenoxy)benzonitrile
CID 163217042
2-(5-amino-2-methoxyphenoxy)benzonitrile
CID 43363978

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-4-oxo-3H-quinazolin-2-yl)oxy]benzonitrile?
The IUPAC name of 2-[(6-amino-4-oxo-3H-quinazolin-2-yl)oxy]benzonitrile (CID 136809460) is 2-[(6-amino-4-oxo-3H-quinazolin-2-yl)oxy]benzonitrile.
What is the SMILES notation for 2-[(6-amino-4-oxo-3H-quinazolin-2-yl)oxy]benzonitrile?
The canonical SMILES for 2-[(6-amino-4-oxo-3H-quinazolin-2-yl)oxy]benzonitrile is N#Cc1ccccc1Oc1nc2ccc(N)cc2c(=O)[nH]1.
What is the InChIKey of 2-[(6-amino-4-oxo-3H-quinazolin-2-yl)oxy]benzonitrile?
The InChIKey is PVBHVSADYMQWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O2/c16-8-9-3-1-2-4-13(9)21-15-18-12-6-5-10(17)7-11(12)14(20)19-15/h1-7H,17H2,(H,18,19,20).
What are the key properties of 2-[(6-amino-4-oxo-3H-quinazolin-2-yl)oxy]benzonitrile?
2-[(6-amino-4-oxo-3H-quinazolin-2-yl)oxy]benzonitrile has a molecular weight of 278.27 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-4-oxo-3H-quinazolin-2-yl)oxy]benzonitrile is sourced from PubChem (CID 136809460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).