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

C16H16FN3O — CID 25096275

IUPAC9-fluoro-6-(2-methylpropylamino)-2H-benzo[c][1,6]naphthyridin-1-one
SMILESCC(C)CNc1nc2cc[nH]c(=O)c2c2cc(F)ccc12
InChIInChI=1S/C16H16FN3O/c1-9(2)8-19-15-11-4-3-10(17)7-12(11)14-13(20-15)5-6-18-16(14)21/h3-7,9H,8H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyHYOUUNPGCBWXNF-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.28
Rot. Bonds3

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

9-fluoro-6-(2-methylpropylamino)-2H-benzo[c][1,6]naphthyridin-1-one (PubChem CID 25096275) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 9-fluoro-6-(2-methylpropylamino)-2H-benzo[c][1,6]naphthyridin-1-one.

Molecular Properties

Compound Name9-fluoro-6-(2-methylpropylamino)-2H-benzo[c][1,6]naphthyridin-1-one
PubChem CID25096275
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name9-fluoro-6-(2-methylpropylamino)-2H-benzo[c][1,6]naphthyridin-1-one
SMILESCC(C)CNc1nc2cc[nH]c(=O)c2c2cc(F)ccc12
InChIInChI=1S/C16H16FN3O/c1-9(2)8-19-15-11-4-3-10(17)7-12(11)14-13(20-15)5-6-18-16(14)21/h3-7,9H,8H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyHYOUUNPGCBWXNF-UHFFFAOYSA-N
XLogP3.28
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.28
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-(2-methylpropylamino)-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

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-6-(2-methylpropylamino)-2H-benzo[c][1,6]naphthyridin-1-one?
The IUPAC name of 9-fluoro-6-(2-methylpropylamino)-2H-benzo[c][1,6]naphthyridin-1-one (CID 25096275) is 9-fluoro-6-(2-methylpropylamino)-2H-benzo[c][1,6]naphthyridin-1-one.
What is the SMILES notation for 9-fluoro-6-(2-methylpropylamino)-2H-benzo[c][1,6]naphthyridin-1-one?
The canonical SMILES for 9-fluoro-6-(2-methylpropylamino)-2H-benzo[c][1,6]naphthyridin-1-one is CC(C)CNc1nc2cc[nH]c(=O)c2c2cc(F)ccc12.
What is the InChIKey of 9-fluoro-6-(2-methylpropylamino)-2H-benzo[c][1,6]naphthyridin-1-one?
The InChIKey is HYOUUNPGCBWXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-9(2)8-19-15-11-4-3-10(17)7-12(11)14-13(20-15)5-6-18-16(14)21/h3-7,9H,8H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 9-fluoro-6-(2-methylpropylamino)-2H-benzo[c][1,6]naphthyridin-1-one?
9-fluoro-6-(2-methylpropylamino)-2H-benzo[c][1,6]naphthyridin-1-one has a molecular weight of 285.32 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-6-(2-methylpropylamino)-2H-benzo[c][1,6]naphthyridin-1-one is sourced from PubChem (CID 25096275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).