5-(3-fluorophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid

C19H11FN2O2 — CID 25252992

IUPAC5-(3-fluorophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1cccc(F)c1)c1ccncc12
InChIInChI=1S/C19H11FN2O2/c20-13-3-1-2-11(8-13)18-15-6-7-21-10-16(15)14-5-4-12(19(23)24)9-17(14)22-18/h1-10H,(H,23,24)
InChIKeySFLCCIUFSBSYLX-UHFFFAOYSA-N
MW318.31 g/mol
LogP4.29
Rot. Bonds2

About 5-(3-fluorophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid

5-(3-fluorophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid (PubChem CID 25252992) has the molecular formula C19H11FN2O2 and a molecular weight of 318.31 g/mol. Its IUPAC name is 5-(3-fluorophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid.

Molecular Properties

Compound Name5-(3-fluorophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
PubChem CID25252992
Molecular FormulaC19H11FN2O2
Molecular Weight318.31 g/mol
Exact Mass318.08
IUPAC Name5-(3-fluorophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1cccc(F)c1)c1ccncc12
InChIInChI=1S/C19H11FN2O2/c20-13-3-1-2-11(8-13)18-15-6-7-21-10-16(15)14-5-4-12(19(23)24)9-17(14)22-18/h1-10H,(H,23,24)
InChIKeySFLCCIUFSBSYLX-UHFFFAOYSA-N
XLogP4.29
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(3-fluorophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid 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 5-(3-fluorophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The IUPAC name of 5-(3-fluorophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid (CID 25252992) is 5-(3-fluorophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid.
What is the SMILES notation for 5-(3-fluorophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The canonical SMILES for 5-(3-fluorophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid is O=C(O)c1ccc2c(c1)nc(-c1cccc(F)c1)c1ccncc12.
What is the InChIKey of 5-(3-fluorophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The InChIKey is SFLCCIUFSBSYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11FN2O2/c20-13-3-1-2-11(8-13)18-15-6-7-21-10-16(15)14-5-4-12(19(23)24)9-17(14)22-18/h1-10H,(H,23,24).
What are the key properties of 5-(3-fluorophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid?
5-(3-fluorophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid has a molecular weight of 318.31 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid is sourced from PubChem (CID 25252992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).