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

C16H14FN3O — CID 25096019

IUPAC6-(cyclobutylamino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one
SMILESO=c1[nH]ccc2nc(NC3CCC3)c3ccc(F)cc3c12
InChIInChI=1S/C16H14FN3O/c17-9-4-5-11-12(8-9)14-13(6-7-18-16(14)21)20-15(11)19-10-2-1-3-10/h4-8,10H,1-3H2,(H,18,21)(H,19,20)
InChIKeyUQGCDSQHWUMCPI-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.18
Rot. Bonds2

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

6-(cyclobutylamino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one (PubChem CID 25096019) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 6-(cyclobutylamino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one.

Molecular Properties

Compound Name6-(cyclobutylamino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one
PubChem CID25096019
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name6-(cyclobutylamino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one
SMILESO=c1[nH]ccc2nc(NC3CCC3)c3ccc(F)cc3c12
InChIInChI=1S/C16H14FN3O/c17-9-4-5-11-12(8-9)14-13(6-7-18-16(14)21)20-15(11)19-10-2-1-3-10/h4-8,10H,1-3H2,(H,18,21)(H,19,20)
InChIKeyUQGCDSQHWUMCPI-UHFFFAOYSA-N
XLogP3.18
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(cyclobutylamino)-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
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
(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-(cyclopropylamino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one
CID 25096280
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
(S)-9-fluoro-6-(1,1,1-trifluoro-3-methylbutan-2-ylamino)benzo[c][1,6]naphthyridin-1(2H)-one
CID 52942701

Frequently Asked Questions

What is the IUPAC name of 6-(cyclobutylamino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one?
The IUPAC name of 6-(cyclobutylamino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one (CID 25096019) is 6-(cyclobutylamino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one.
What is the SMILES notation for 6-(cyclobutylamino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one?
The canonical SMILES for 6-(cyclobutylamino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one is O=c1[nH]ccc2nc(NC3CCC3)c3ccc(F)cc3c12.
What is the InChIKey of 6-(cyclobutylamino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one?
The InChIKey is UQGCDSQHWUMCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c17-9-4-5-11-12(8-9)14-13(6-7-18-16(14)21)20-15(11)19-10-2-1-3-10/h4-8,10H,1-3H2,(H,18,21)(H,19,20).
What are the key properties of 6-(cyclobutylamino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one?
6-(cyclobutylamino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one has a molecular weight of 283.31 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclobutylamino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one is sourced from PubChem (CID 25096019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).