8-hydroxy-2-(4-nitrophenyl)-3H-quinazolin-4-one

C14H9N3O4 — CID 135492389

IUPAC8-hydroxy-2-(4-nitrophenyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccc([N+](=O)[O-])cc2)nc2c(O)cccc12
InChIInChI=1S/C14H9N3O4/c18-11-3-1-2-10-12(11)15-13(16-14(10)19)8-4-6-9(7-5-8)17(20)21/h1-7,18H,(H,15,16,19)
InChIKeyFKPMZNSEGYFIDN-UHFFFAOYSA-N
MW283.24 g/mol
LogP2.20
Rot. Bonds2

About 8-hydroxy-2-(4-nitrophenyl)-3H-quinazolin-4-one

8-hydroxy-2-(4-nitrophenyl)-3H-quinazolin-4-one (PubChem CID 135492389) has the molecular formula C14H9N3O4 and a molecular weight of 283.24 g/mol. Its IUPAC name is 8-hydroxy-2-(4-nitrophenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-hydroxy-2-(4-nitrophenyl)-3H-quinazolin-4-one
PubChem CID135492389
Molecular FormulaC14H9N3O4
Molecular Weight283.24 g/mol
Exact Mass283.06
IUPAC Name8-hydroxy-2-(4-nitrophenyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccc([N+](=O)[O-])cc2)nc2c(O)cccc12
InChIInChI=1S/C14H9N3O4/c18-11-3-1-2-10-12(11)15-13(16-14(10)19)8-4-6-9(7-5-8)17(20)21/h1-7,18H,(H,15,16,19)
InChIKeyFKPMZNSEGYFIDN-UHFFFAOYSA-N
XLogP2.20
TPSA109.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 52.20
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2-(4-nitrophenyl)-3H-quinazolin-4-one?
The IUPAC name of 8-hydroxy-2-(4-nitrophenyl)-3H-quinazolin-4-one (CID 135492389) is 8-hydroxy-2-(4-nitrophenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 8-hydroxy-2-(4-nitrophenyl)-3H-quinazolin-4-one?
The canonical SMILES for 8-hydroxy-2-(4-nitrophenyl)-3H-quinazolin-4-one is O=c1[nH]c(-c2ccc([N+](=O)[O-])cc2)nc2c(O)cccc12.
What is the InChIKey of 8-hydroxy-2-(4-nitrophenyl)-3H-quinazolin-4-one?
The InChIKey is FKPMZNSEGYFIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O4/c18-11-3-1-2-10-12(11)15-13(16-14(10)19)8-4-6-9(7-5-8)17(20)21/h1-7,18H,(H,15,16,19).
What are the key properties of 8-hydroxy-2-(4-nitrophenyl)-3H-quinazolin-4-one?
8-hydroxy-2-(4-nitrophenyl)-3H-quinazolin-4-one has a molecular weight of 283.24 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2-(4-nitrophenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 135492389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).