2-[2-(2-fluorophenyl)ethynyl]benzo[f][1,7]naphthyridin-5-amine

C20H12FN3 — CID 58213761

IUPAC2-[2-(2-fluorophenyl)ethynyl]benzo[f][1,7]naphthyridin-5-amine
SMILESNc1nc2ccccc2c2cc(C#Cc3ccccc3F)cnc12
InChIInChI=1S/C20H12FN3/c21-17-7-3-1-5-14(17)10-9-13-11-16-15-6-2-4-8-18(15)24-20(22)19(16)23-12-13/h1-8,11-12H,(H2,22,24)
InChIKeyVIXURKWAIAYZMY-UHFFFAOYSA-N
MW313.34 g/mol
LogP3.90
Rot. Bonds

About 2-[2-(2-fluorophenyl)ethynyl]benzo[f][1,7]naphthyridin-5-amine

2-[2-(2-fluorophenyl)ethynyl]benzo[f][1,7]naphthyridin-5-amine (PubChem CID 58213761) has the molecular formula C20H12FN3 and a molecular weight of 313.34 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)ethynyl]benzo[f][1,7]naphthyridin-5-amine.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)ethynyl]benzo[f][1,7]naphthyridin-5-amine
PubChem CID58213761
Molecular FormulaC20H12FN3
Molecular Weight313.34 g/mol
Exact Mass313.10
IUPAC Name2-[2-(2-fluorophenyl)ethynyl]benzo[f][1,7]naphthyridin-5-amine
SMILESNc1nc2ccccc2c2cc(C#Cc3ccccc3F)cnc12
InChIInChI=1S/C20H12FN3/c21-17-7-3-1-5-14(17)10-9-13-11-16-15-6-2-4-8-18(15)24-20(22)19(16)23-12-13/h1-8,11-12H,(H2,22,24)
InChIKeyVIXURKWAIAYZMY-UHFFFAOYSA-N
XLogP3.90
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(2-fluorophenyl)ethynyl]benzo[f][1,7]naphthyridin-5-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 2-[2-(2-fluorophenyl)ethynyl]benzo[f][1,7]naphthyridin-5-amine?
The IUPAC name of 2-[2-(2-fluorophenyl)ethynyl]benzo[f][1,7]naphthyridin-5-amine (CID 58213761) is 2-[2-(2-fluorophenyl)ethynyl]benzo[f][1,7]naphthyridin-5-amine.
What is the SMILES notation for 2-[2-(2-fluorophenyl)ethynyl]benzo[f][1,7]naphthyridin-5-amine?
The canonical SMILES for 2-[2-(2-fluorophenyl)ethynyl]benzo[f][1,7]naphthyridin-5-amine is Nc1nc2ccccc2c2cc(C#Cc3ccccc3F)cnc12.
What is the InChIKey of 2-[2-(2-fluorophenyl)ethynyl]benzo[f][1,7]naphthyridin-5-amine?
The InChIKey is VIXURKWAIAYZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12FN3/c21-17-7-3-1-5-14(17)10-9-13-11-16-15-6-2-4-8-18(15)24-20(22)19(16)23-12-13/h1-8,11-12H,(H2,22,24).
What are the key properties of 2-[2-(2-fluorophenyl)ethynyl]benzo[f][1,7]naphthyridin-5-amine?
2-[2-(2-fluorophenyl)ethynyl]benzo[f][1,7]naphthyridin-5-amine has a molecular weight of 313.34 g/mol, XLogP of 3.90, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)ethynyl]benzo[f][1,7]naphthyridin-5-amine is sourced from PubChem (CID 58213761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).