6-(4-chloro-2,6-difluoroanilino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one

C18H9ClF3N3O — CID 25097264

IUPAC6-(4-chloro-2,6-difluoroanilino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one
SMILESO=c1[nH]ccc2nc(Nc3c(F)cc(Cl)cc3F)c3ccc(F)cc3c12
InChIInChI=1S/C18H9ClF3N3O/c19-8-5-12(21)16(13(22)6-8)25-17-10-2-1-9(20)7-11(10)15-14(24-17)3-4-23-18(15)26/h1-7H,(H,23,26)(H,24,25)
InChIKeyAYNBUVBESKGQKN-UHFFFAOYSA-N
MW375.74 g/mol
LogP4.89
Rot. Bonds2

About 6-(4-chloro-2,6-difluoroanilino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one

6-(4-chloro-2,6-difluoroanilino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one (PubChem CID 25097264) has the molecular formula C18H9ClF3N3O and a molecular weight of 375.74 g/mol. Its IUPAC name is 6-(4-chloro-2,6-difluoroanilino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one.

Molecular Properties

Compound Name6-(4-chloro-2,6-difluoroanilino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one
PubChem CID25097264
Molecular FormulaC18H9ClF3N3O
Molecular Weight375.74 g/mol
Exact Mass375.04
IUPAC Name6-(4-chloro-2,6-difluoroanilino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one
SMILESO=c1[nH]ccc2nc(Nc3c(F)cc(Cl)cc3F)c3ccc(F)cc3c12
InChIInChI=1S/C18H9ClF3N3O/c19-8-5-12(21)16(13(22)6-8)25-17-10-2-1-9(20)7-11(10)15-14(24-17)3-4-23-18(15)26/h1-7H,(H,23,26)(H,24,25)
InChIKeyAYNBUVBESKGQKN-UHFFFAOYSA-N
XLogP4.89
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.74
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(4-chloro-2,6-difluoroanilino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one with MolForge

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Related Compounds

6-[(3-amino-2,2-dimethylpropyl)amino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one
CID 52946111
9-fluoro-6-[[(1S)-1-phenylethyl]amino]-2H-benzo[c][1,6]naphthyridin-1-one
CID 25096530
4-[[(9-fluoro-1-oxo-2H-benzo[c][1,6]naphthyridin-6-yl)amino]methyl]benzaldehyde
CID 145475445
6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one
CID 25096274
3-[3-[(9-fluoro-1-oxo-2H-benzo[c][1,6]naphthyridin-6-yl)amino]-8-azabicyclo[3.2.1]octan-8-yl]-3-oxopropanenitrile
CID 59375533
6-(3,3-dimethylbutan-2-ylamino)-9-methylsulfanyl-2H-benzo[c][1,6]naphthyridin-1-one
CID 145475364
5-(5-tert-butyl-2-methylanilino)-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one
CID 25227126
6-[2-chloro-6-fluoro-4-(1H-pyrazol-5-yl)anilino]-8,9-dihydro-2H-pyrido[4,3-c][1,6]naphthyridin-1-one
CID 91414273
15-fluoro-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one
CID 22574188
5-(2,4-dimethyl-5-methylsulfonylanilino)-9-fluoro-2H-benzo[h][2,6]naphthyridin-1-one
CID 25225651
6-(3,3-dimethylbutan-2-ylamino)-9-phenyl-2H-benzo[c][1,6]naphthyridin-1-one
CID 70878022
15-fluoro-4-(4-oxopiperidin-1-yl)-5-thia-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-11-one
CID 67377168

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2,6-difluoroanilino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one?
The IUPAC name of 6-(4-chloro-2,6-difluoroanilino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one (CID 25097264) is 6-(4-chloro-2,6-difluoroanilino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one.
What is the SMILES notation for 6-(4-chloro-2,6-difluoroanilino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one?
The canonical SMILES for 6-(4-chloro-2,6-difluoroanilino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one is O=c1[nH]ccc2nc(Nc3c(F)cc(Cl)cc3F)c3ccc(F)cc3c12.
What is the InChIKey of 6-(4-chloro-2,6-difluoroanilino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one?
The InChIKey is AYNBUVBESKGQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9ClF3N3O/c19-8-5-12(21)16(13(22)6-8)25-17-10-2-1-9(20)7-11(10)15-14(24-17)3-4-23-18(15)26/h1-7H,(H,23,26)(H,24,25).
What are the key properties of 6-(4-chloro-2,6-difluoroanilino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one?
6-(4-chloro-2,6-difluoroanilino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one has a molecular weight of 375.74 g/mol, XLogP of 4.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-2,6-difluoroanilino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one is sourced from PubChem (CID 25097264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).