phenanthro[9,10-b]quinoline

C21H13N — CID 9165

IUPACphenanthro[9,10-b]quinoline
SMILESc1ccc2nc3c4ccccc4c4ccccc4c3cc2c1
InChIInChI=1S/C21H13N/c1-6-12-20-14(7-1)13-19-17-10-3-2-8-15(17)16-9-4-5-11-18(16)21(19)22-20/h1-13H
InChIKeyGUZBPGZOTDAWBO-UHFFFAOYSA-N
MW279.34 g/mol
LogP5.69
Rot. Bonds

About phenanthro[9,10-b]quinoline

phenanthro[9,10-b]quinoline (PubChem CID 9165) has the molecular formula C21H13N and a molecular weight of 279.34 g/mol. Its IUPAC name is phenanthro[9,10-b]quinoline.

Molecular Properties

Compound Namephenanthro[9,10-b]quinoline
PubChem CID9165
Molecular FormulaC21H13N
Molecular Weight279.34 g/mol
Exact Mass279.10
IUPAC Namephenanthro[9,10-b]quinoline
SMILESc1ccc2nc3c4ccccc4c4ccccc4c3cc2c1
InChIInChI=1S/C21H13N/c1-6-12-20-14(7-1)13-19-17-10-3-2-8-15(17)16-9-4-5-11-18(16)21(19)22-20/h1-13H
InChIKeyGUZBPGZOTDAWBO-UHFFFAOYSA-N
XLogP5.69
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.34
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze phenanthro[9,10-b]quinoline 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 phenanthro[9,10-b]quinoline?
The IUPAC name of phenanthro[9,10-b]quinoline (CID 9165) is phenanthro[9,10-b]quinoline.
What is the SMILES notation for phenanthro[9,10-b]quinoline?
The canonical SMILES for phenanthro[9,10-b]quinoline is c1ccc2nc3c4ccccc4c4ccccc4c3cc2c1.
What is the InChIKey of phenanthro[9,10-b]quinoline?
The InChIKey is GUZBPGZOTDAWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N/c1-6-12-20-14(7-1)13-19-17-10-3-2-8-15(17)16-9-4-5-11-18(16)21(19)22-20/h1-13H.
What are the key properties of phenanthro[9,10-b]quinoline?
phenanthro[9,10-b]quinoline has a molecular weight of 279.34 g/mol, XLogP of 5.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenanthro[9,10-b]quinoline is sourced from PubChem (CID 9165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).