3-(2-nitrophenyl)quinazolin-4-one

C14H9N3O3 — CID 827296

IUPAC3-(2-nitrophenyl)quinazolin-4-one
SMILESO=c1c2ccccc2ncn1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H9N3O3/c18-14-10-5-1-2-6-11(10)15-9-16(14)12-7-3-4-8-13(12)17(19)20/h1-9H
InChIKeyOSXUBIXLFJGLBZ-UHFFFAOYSA-N
MW267.24 g/mol
LogP2.29
Rot. Bonds2

About 3-(2-nitrophenyl)quinazolin-4-one

3-(2-nitrophenyl)quinazolin-4-one (PubChem CID 827296) has the molecular formula C14H9N3O3 and a molecular weight of 267.24 g/mol. Its IUPAC name is 3-(2-nitrophenyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(2-nitrophenyl)quinazolin-4-one
PubChem CID827296
Molecular FormulaC14H9N3O3
Molecular Weight267.24 g/mol
Exact Mass267.06
IUPAC Name3-(2-nitrophenyl)quinazolin-4-one
SMILESO=c1c2ccccc2ncn1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H9N3O3/c18-14-10-5-1-2-6-11(10)15-9-16(14)12-7-3-4-8-13(12)17(19)20/h1-9H
InChIKeyOSXUBIXLFJGLBZ-UHFFFAOYSA-N
XLogP2.29
TPSA78.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-3H-quinazolin-4-one
CID 785275
2-Methyl-3-(3-nitro-phenyl)-3H-quinazolin-4-one
CID 63719
4(3H)-Quinazolinone, 3-(phenylmethyl)-
CID 616746
3(4H)-Quinazolineacetamide, 4-oxo-N-phenyl-
CID 742756
4(3H)-Quinazolinone, 3-methyl-6-nitro-
CID 63127
3-(2-fluorophenyl)quinazolin-4(3H)-one
CID 613587
2-Methyl-3-(4-nitrophenyl)quinazolin-4-one
CID 63708
3-methyl-2-[(E)-2-(2-nitrophenyl)ethenyl]quinazolin-4-one
CID 5343305
4(1H)-Quinazolinone, 1-phenyl-
CID 607063
3-(2-Methylphenyl)-4(3H)-quinazolinone
CID 64056
3-(2-Chloro-4-nitro-phenyl)-3H-quinazolin-4-one
CID 823519
2-Methyl-3-(4-nitro-benzyl)-3H-quinazolin-4-one
CID 860197

Frequently Asked Questions

What is the IUPAC name of 3-(2-nitrophenyl)quinazolin-4-one?
The IUPAC name of 3-(2-nitrophenyl)quinazolin-4-one (CID 827296) is 3-(2-nitrophenyl)quinazolin-4-one.
What is the SMILES notation for 3-(2-nitrophenyl)quinazolin-4-one?
The canonical SMILES for 3-(2-nitrophenyl)quinazolin-4-one is O=c1c2ccccc2ncn1-c1ccccc1[N+](=O)[O-].
What is the InChIKey of 3-(2-nitrophenyl)quinazolin-4-one?
The InChIKey is OSXUBIXLFJGLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O3/c18-14-10-5-1-2-6-11(10)15-9-16(14)12-7-3-4-8-13(12)17(19)20/h1-9H.
What are the key properties of 3-(2-nitrophenyl)quinazolin-4-one?
3-(2-nitrophenyl)quinazolin-4-one has a molecular weight of 267.24 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-nitrophenyl)quinazolin-4-one is sourced from PubChem (CID 827296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).