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

C15H14FN3O — CID 52944434

IUPAC9-fluoro-6-(propan-2-ylamino)-2H-benzo[c][1,6]naphthyridin-1-one
SMILESCC(C)Nc1nc2cc[nH]c(=O)c2c2cc(F)ccc12
InChIInChI=1S/C15H14FN3O/c1-8(2)18-14-10-4-3-9(16)7-11(10)13-12(19-14)5-6-17-15(13)20/h3-8H,1-2H3,(H,17,20)(H,18,19)
InChIKeyHPVGIMAFCHRMAY-UHFFFAOYSA-N
MW271.30 g/mol
LogP3.04
Rot. Bonds2

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

9-fluoro-6-(propan-2-ylamino)-2H-benzo[c][1,6]naphthyridin-1-one (PubChem CID 52944434) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is 9-fluoro-6-(propan-2-ylamino)-2H-benzo[c][1,6]naphthyridin-1-one.

Molecular Properties

Compound Name9-fluoro-6-(propan-2-ylamino)-2H-benzo[c][1,6]naphthyridin-1-one
PubChem CID52944434
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name9-fluoro-6-(propan-2-ylamino)-2H-benzo[c][1,6]naphthyridin-1-one
SMILESCC(C)Nc1nc2cc[nH]c(=O)c2c2cc(F)ccc12
InChIInChI=1S/C15H14FN3O/c1-8(2)18-14-10-4-3-9(16)7-11(10)13-12(19-14)5-6-17-15(13)20/h3-8H,1-2H3,(H,17,20)(H,18,19)
InChIKeyHPVGIMAFCHRMAY-UHFFFAOYSA-N
XLogP3.04
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 53.04
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 9-fluoro-6-(propan-2-ylamino)-2H-benzo[c][1,6]naphthyridin-1-one?
The IUPAC name of 9-fluoro-6-(propan-2-ylamino)-2H-benzo[c][1,6]naphthyridin-1-one (CID 52944434) is 9-fluoro-6-(propan-2-ylamino)-2H-benzo[c][1,6]naphthyridin-1-one.
What is the SMILES notation for 9-fluoro-6-(propan-2-ylamino)-2H-benzo[c][1,6]naphthyridin-1-one?
The canonical SMILES for 9-fluoro-6-(propan-2-ylamino)-2H-benzo[c][1,6]naphthyridin-1-one is CC(C)Nc1nc2cc[nH]c(=O)c2c2cc(F)ccc12.
What is the InChIKey of 9-fluoro-6-(propan-2-ylamino)-2H-benzo[c][1,6]naphthyridin-1-one?
The InChIKey is HPVGIMAFCHRMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c1-8(2)18-14-10-4-3-9(16)7-11(10)13-12(19-14)5-6-17-15(13)20/h3-8H,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 9-fluoro-6-(propan-2-ylamino)-2H-benzo[c][1,6]naphthyridin-1-one?
9-fluoro-6-(propan-2-ylamino)-2H-benzo[c][1,6]naphthyridin-1-one has a molecular weight of 271.30 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-6-(propan-2-ylamino)-2H-benzo[c][1,6]naphthyridin-1-one is sourced from PubChem (CID 52944434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).