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

C17H18FN3O — CID 25095759

IUPAC6-(2,2-dimethylpropylamino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one
SMILESCC(C)(C)CNc1nc2cc[nH]c(=O)c2c2cc(F)ccc12
InChIInChI=1S/C17H18FN3O/c1-17(2,3)9-20-15-11-5-4-10(18)8-12(11)14-13(21-15)6-7-19-16(14)22/h4-8H,9H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyVZGUQERSCUHEKM-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.67
Rot. Bonds2

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

6-(2,2-dimethylpropylamino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one (PubChem CID 25095759) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is 6-(2,2-dimethylpropylamino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one.

Molecular Properties

Compound Name6-(2,2-dimethylpropylamino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one
PubChem CID25095759
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name6-(2,2-dimethylpropylamino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one
SMILESCC(C)(C)CNc1nc2cc[nH]c(=O)c2c2cc(F)ccc12
InChIInChI=1S/C17H18FN3O/c1-17(2,3)9-20-15-11-5-4-10(18)8-12(11)14-13(21-15)6-7-19-16(14)22/h4-8H,9H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyVZGUQERSCUHEKM-UHFFFAOYSA-N
XLogP3.67
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylpropylamino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one?
The IUPAC name of 6-(2,2-dimethylpropylamino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one (CID 25095759) is 6-(2,2-dimethylpropylamino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one.
What is the SMILES notation for 6-(2,2-dimethylpropylamino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one?
The canonical SMILES for 6-(2,2-dimethylpropylamino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one is CC(C)(C)CNc1nc2cc[nH]c(=O)c2c2cc(F)ccc12.
What is the InChIKey of 6-(2,2-dimethylpropylamino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one?
The InChIKey is VZGUQERSCUHEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c1-17(2,3)9-20-15-11-5-4-10(18)8-12(11)14-13(21-15)6-7-19-16(14)22/h4-8H,9H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of 6-(2,2-dimethylpropylamino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one?
6-(2,2-dimethylpropylamino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one has a molecular weight of 299.35 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylpropylamino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one is sourced from PubChem (CID 25095759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).