9-fluoro-6-(3-fluoroanilino)-2H-benzo[c][1,6]naphthyridin-1-one

C18H11F2N3O — CID 25096532

IUPAC9-fluoro-6-(3-fluoroanilino)-2H-benzo[c][1,6]naphthyridin-1-one
SMILESO=c1[nH]ccc2nc(Nc3cccc(F)c3)c3ccc(F)cc3c12
InChIInChI=1S/C18H11F2N3O/c19-10-2-1-3-12(8-10)22-17-13-5-4-11(20)9-14(13)16-15(23-17)6-7-21-18(16)24/h1-9H,(H,21,24)(H,22,23)
InChIKeyVCIYSSWETBFVSU-UHFFFAOYSA-N
MW323.30 g/mol
LogP4.10
Rot. Bonds2

About 9-fluoro-6-(3-fluoroanilino)-2H-benzo[c][1,6]naphthyridin-1-one

9-fluoro-6-(3-fluoroanilino)-2H-benzo[c][1,6]naphthyridin-1-one (PubChem CID 25096532) has the molecular formula C18H11F2N3O and a molecular weight of 323.30 g/mol. Its IUPAC name is 9-fluoro-6-(3-fluoroanilino)-2H-benzo[c][1,6]naphthyridin-1-one.

Molecular Properties

Compound Name9-fluoro-6-(3-fluoroanilino)-2H-benzo[c][1,6]naphthyridin-1-one
PubChem CID25096532
Molecular FormulaC18H11F2N3O
Molecular Weight323.30 g/mol
Exact Mass323.09
IUPAC Name9-fluoro-6-(3-fluoroanilino)-2H-benzo[c][1,6]naphthyridin-1-one
SMILESO=c1[nH]ccc2nc(Nc3cccc(F)c3)c3ccc(F)cc3c12
InChIInChI=1S/C18H11F2N3O/c19-10-2-1-3-12(8-10)22-17-13-5-4-11(20)9-14(13)16-15(23-17)6-7-21-18(16)24/h1-9H,(H,21,24)(H,22,23)
InChIKeyVCIYSSWETBFVSU-UHFFFAOYSA-N
XLogP4.10
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9-fluoro-6-(3-fluoroanilino)-2H-benzo[c][1,6]naphthyridin-1-one with MolForge

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

Launch Full Analysis

Related Compounds

Vx-702
CID 10341154
N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide
CID 10448986
6-{[(1R)-2-methyl-1-(trifluoromethyl)propyl]amino}pyrido[4,3-c]-1,6-naphthyridin-1(2H)-one
CID 25096016
(R)-9-fluoro-6-(1,1,1-trifluoro-3-methylbutan-2-ylamino)benzo[c][1,6]naphthyridin-1(2H)-one
CID 50925513
N-(2-quinolinyl)benzamide
CID 2812454
N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-fluorobenzamide
CID 15987804
3-Acyl-2,6-diaminopyridine deriv. 2n
CID 5330828
N-(2-fluorophenyl)-1-(piperidin-1-yl)isoquinoline-4-carboxamide
CID 16031303
2-Butylamino-6-phenyl-4-trifluoromethyl-nicotinamide
CID 1904911
B-Cell Immunosuppressant
CID 9797013
6-(cyclobutylamino)-9-fluorobenzo[c][1,6]naphthyridin-1(2H)-one
CID 25096019
(S)-9-fluoro-6-(3-methylbutan-2-ylamino)benzo[c][1,6]naphthyridin-1(2H)-one
CID 25096020

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-6-(3-fluoroanilino)-2H-benzo[c][1,6]naphthyridin-1-one?
The IUPAC name of 9-fluoro-6-(3-fluoroanilino)-2H-benzo[c][1,6]naphthyridin-1-one (CID 25096532) is 9-fluoro-6-(3-fluoroanilino)-2H-benzo[c][1,6]naphthyridin-1-one.
What is the SMILES notation for 9-fluoro-6-(3-fluoroanilino)-2H-benzo[c][1,6]naphthyridin-1-one?
The canonical SMILES for 9-fluoro-6-(3-fluoroanilino)-2H-benzo[c][1,6]naphthyridin-1-one is O=c1[nH]ccc2nc(Nc3cccc(F)c3)c3ccc(F)cc3c12.
What is the InChIKey of 9-fluoro-6-(3-fluoroanilino)-2H-benzo[c][1,6]naphthyridin-1-one?
The InChIKey is VCIYSSWETBFVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2N3O/c19-10-2-1-3-12(8-10)22-17-13-5-4-11(20)9-14(13)16-15(23-17)6-7-21-18(16)24/h1-9H,(H,21,24)(H,22,23).
What are the key properties of 9-fluoro-6-(3-fluoroanilino)-2H-benzo[c][1,6]naphthyridin-1-one?
9-fluoro-6-(3-fluoroanilino)-2H-benzo[c][1,6]naphthyridin-1-one has a molecular weight of 323.30 g/mol, XLogP of 4.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-6-(3-fluoroanilino)-2H-benzo[c][1,6]naphthyridin-1-one is sourced from PubChem (CID 25096532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).