7-nitro-N-phenylquinazolin-4-amine

C14H10N4O2 — CID 5328196

IUPAC7-nitro-N-phenylquinazolin-4-amine
SMILESO=[N+]([O-])c1ccc2c(Nc3ccccc3)ncnc2c1
InChIInChI=1S/C14H10N4O2/c19-18(20)11-6-7-12-13(8-11)15-9-16-14(12)17-10-4-2-1-3-5-10/h1-9H,(H,15,16,17)
InChIKeyFHPNEDYOQKPVMZ-UHFFFAOYSA-N
MW266.26 g/mol
LogP3.28
Rot. Bonds3

About 7-nitro-N-phenylquinazolin-4-amine

7-nitro-N-phenylquinazolin-4-amine (PubChem CID 5328196) has the molecular formula C14H10N4O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 7-nitro-N-phenylquinazolin-4-amine.

Molecular Properties

Compound Name7-nitro-N-phenylquinazolin-4-amine
PubChem CID5328196
Molecular FormulaC14H10N4O2
Molecular Weight266.26 g/mol
Exact Mass266.08
IUPAC Name7-nitro-N-phenylquinazolin-4-amine
SMILESO=[N+]([O-])c1ccc2c(Nc3ccccc3)ncnc2c1
InChIInChI=1S/C14H10N4O2/c19-18(20)11-6-7-12-13(8-11)15-9-16-14(12)17-10-4-2-1-3-5-10/h1-9H,(H,15,16,17)
InChIKeyFHPNEDYOQKPVMZ-UHFFFAOYSA-N
XLogP3.28
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 53.28
H-Bond Donors ≤ 51
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'}

Analyze 7-nitro-N-phenylquinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-nitro-N-phenylquinazolin-4-amine?
The IUPAC name of 7-nitro-N-phenylquinazolin-4-amine (CID 5328196) is 7-nitro-N-phenylquinazolin-4-amine.
What is the SMILES notation for 7-nitro-N-phenylquinazolin-4-amine?
The canonical SMILES for 7-nitro-N-phenylquinazolin-4-amine is O=[N+]([O-])c1ccc2c(Nc3ccccc3)ncnc2c1.
What is the InChIKey of 7-nitro-N-phenylquinazolin-4-amine?
The InChIKey is FHPNEDYOQKPVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2/c19-18(20)11-6-7-12-13(8-11)15-9-16-14(12)17-10-4-2-1-3-5-10/h1-9H,(H,15,16,17).
What are the key properties of 7-nitro-N-phenylquinazolin-4-amine?
7-nitro-N-phenylquinazolin-4-amine has a molecular weight of 266.26 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitro-N-phenylquinazolin-4-amine is sourced from PubChem (CID 5328196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).