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

C18H10Cl2FN3O — CID 52946313

IUPAC6-(2,6-dichloroanilino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one
SMILESO=c1[nH]ccc2nc(Nc3c(Cl)cccc3Cl)c3ccc(F)cc3c12
InChIInChI=1S/C18H10Cl2FN3O/c19-12-2-1-3-13(20)16(12)24-17-10-5-4-9(21)8-11(10)15-14(23-17)6-7-22-18(15)25/h1-8H,(H,22,25)(H,23,24)
InChIKeyZGBZDEDHSMWXEG-UHFFFAOYSA-N
MW374.20 g/mol
LogP5.27
Rot. Bonds2

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

6-(2,6-dichloroanilino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one (PubChem CID 52946313) has the molecular formula C18H10Cl2FN3O and a molecular weight of 374.20 g/mol. Its IUPAC name is 6-(2,6-dichloroanilino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one.

Molecular Properties

Compound Name6-(2,6-dichloroanilino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one
PubChem CID52946313
Molecular FormulaC18H10Cl2FN3O
Molecular Weight374.20 g/mol
Exact Mass373.02
IUPAC Name6-(2,6-dichloroanilino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one
SMILESO=c1[nH]ccc2nc(Nc3c(Cl)cccc3Cl)c3ccc(F)cc3c12
InChIInChI=1S/C18H10Cl2FN3O/c19-12-2-1-3-13(20)16(12)24-17-10-5-4-9(21)8-11(10)15-14(23-17)6-7-22-18(15)25/h1-8H,(H,22,25)(H,23,24)
InChIKeyZGBZDEDHSMWXEG-UHFFFAOYSA-N
XLogP5.27
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.20
LogP ≤ 55.27
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-(2,6-dichloroanilino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one?
The IUPAC name of 6-(2,6-dichloroanilino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one (CID 52946313) is 6-(2,6-dichloroanilino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one.
What is the SMILES notation for 6-(2,6-dichloroanilino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one?
The canonical SMILES for 6-(2,6-dichloroanilino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one is O=c1[nH]ccc2nc(Nc3c(Cl)cccc3Cl)c3ccc(F)cc3c12.
What is the InChIKey of 6-(2,6-dichloroanilino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one?
The InChIKey is ZGBZDEDHSMWXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl2FN3O/c19-12-2-1-3-13(20)16(12)24-17-10-5-4-9(21)8-11(10)15-14(23-17)6-7-22-18(15)25/h1-8H,(H,22,25)(H,23,24).
What are the key properties of 6-(2,6-dichloroanilino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one?
6-(2,6-dichloroanilino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one has a molecular weight of 374.20 g/mol, XLogP of 5.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichloroanilino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one is sourced from PubChem (CID 52946313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).