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

C15H12FN3O — CID 25096280

IUPAC6-(cyclopropylamino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one
SMILESO=c1[nH]ccc2nc(NC3CC3)c3ccc(F)cc3c12
InChIInChI=1S/C15H12FN3O/c16-8-1-4-10-11(7-8)13-12(5-6-17-15(13)20)19-14(10)18-9-2-3-9/h1,4-7,9H,2-3H2,(H,17,20)(H,18,19)
InChIKeyXJOIAIYXLBIIDL-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.79
Rot. Bonds2

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

6-(cyclopropylamino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one (PubChem CID 25096280) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 6-(cyclopropylamino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one.

Molecular Properties

Compound Name6-(cyclopropylamino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one
PubChem CID25096280
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name6-(cyclopropylamino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one
SMILESO=c1[nH]ccc2nc(NC3CC3)c3ccc(F)cc3c12
InChIInChI=1S/C15H12FN3O/c16-8-1-4-10-11(7-8)13-12(5-6-17-15(13)20)19-14(10)18-9-2-3-9/h1,4-7,9H,2-3H2,(H,17,20)(H,18,19)
InChIKeyXJOIAIYXLBIIDL-UHFFFAOYSA-N
XLogP2.79
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(cyclopropylamino)-9-fluoro-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

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
8-amino-N-cyclopropyl-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxamide
CID 71657853
N-(2-fluorophenyl)-1-(piperidin-1-yl)isoquinoline-4-carboxamide
CID 16031303
N-cycloheptyl-1-[(4-fluorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 16086899
2-Butylamino-6-phenyl-4-trifluoromethyl-nicotinamide
CID 1904911
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
6-(2,6-dichlorobenzylamino)-9-fluorobenzo[c][1,6]naphthyridin-1(2H)-one
CID 25096276
6-(3,3-difluorocyclobutylamino)-9-fluorobenzo[c][1,6]naphthyridin-1(2H)-one
CID 25096279
6-(cyclopropyl(1-methylpiperidin-4-yl)amino)-9-fluorobenzo[c][1,6]naphthyridin-1(2H)-one
CID 25097027
5-(Cyclopropylamino)-9-fluorobenzo[c]-2,6-naphthyridin-1(2H)-one
CID 25195487

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylamino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one?
The IUPAC name of 6-(cyclopropylamino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one (CID 25096280) is 6-(cyclopropylamino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one.
What is the SMILES notation for 6-(cyclopropylamino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one?
The canonical SMILES for 6-(cyclopropylamino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one is O=c1[nH]ccc2nc(NC3CC3)c3ccc(F)cc3c12.
What is the InChIKey of 6-(cyclopropylamino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one?
The InChIKey is XJOIAIYXLBIIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c16-8-1-4-10-11(7-8)13-12(5-6-17-15(13)20)19-14(10)18-9-2-3-9/h1,4-7,9H,2-3H2,(H,17,20)(H,18,19).
What are the key properties of 6-(cyclopropylamino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one?
6-(cyclopropylamino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one has a molecular weight of 269.28 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylamino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one is sourced from PubChem (CID 25096280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).