3-phenylbenzo[f]quinazoline

C18H12N2 — CID 781070

IUPAC3-phenylbenzo[f]quinazoline
SMILESc1ccc(-c2ncc3c(ccc4ccccc43)n2)cc1
InChIInChI=1S/C18H12N2/c1-2-7-14(8-3-1)18-19-12-16-15-9-5-4-6-13(15)10-11-17(16)20-18/h1-12H
InChIKeyIMSYUORUXGLFGX-UHFFFAOYSA-N
MW256.31 g/mol
LogP4.45
Rot. Bonds1

About 3-phenylbenzo[f]quinazoline

3-phenylbenzo[f]quinazoline (PubChem CID 781070) has the molecular formula C18H12N2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-phenylbenzo[f]quinazoline.

Molecular Properties

Compound Name3-phenylbenzo[f]quinazoline
PubChem CID781070
Molecular FormulaC18H12N2
Molecular Weight256.31 g/mol
Exact Mass256.10
IUPAC Name3-phenylbenzo[f]quinazoline
SMILESc1ccc(-c2ncc3c(ccc4ccccc43)n2)cc1
InChIInChI=1S/C18H12N2/c1-2-7-14(8-3-1)18-19-12-16-15-9-5-4-6-13(15)10-11-17(16)20-18/h1-12H
InChIKeyIMSYUORUXGLFGX-UHFFFAOYSA-N
XLogP4.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-phenylbenzo[f]quinazoline 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 3-phenylbenzo[f]quinazoline?
The IUPAC name of 3-phenylbenzo[f]quinazoline (CID 781070) is 3-phenylbenzo[f]quinazoline.
What is the SMILES notation for 3-phenylbenzo[f]quinazoline?
The canonical SMILES for 3-phenylbenzo[f]quinazoline is c1ccc(-c2ncc3c(ccc4ccccc43)n2)cc1.
What is the InChIKey of 3-phenylbenzo[f]quinazoline?
The InChIKey is IMSYUORUXGLFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2/c1-2-7-14(8-3-1)18-19-12-16-15-9-5-4-6-13(15)10-11-17(16)20-18/h1-12H.
What are the key properties of 3-phenylbenzo[f]quinazoline?
3-phenylbenzo[f]quinazoline has a molecular weight of 256.31 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylbenzo[f]quinazoline is sourced from PubChem (CID 781070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).