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

C19H12Cl2FN3O — CID 25096276

IUPAC6-[(2,6-dichlorophenyl)methylamino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one
SMILESO=c1[nH]ccc2nc(NCc3c(Cl)cccc3Cl)c3ccc(F)cc3c12
InChIInChI=1S/C19H12Cl2FN3O/c20-14-2-1-3-15(21)13(14)9-24-18-11-5-4-10(22)8-12(11)17-16(25-18)6-7-23-19(17)26/h1-8H,9H2,(H,23,26)(H,24,25)
InChIKeySVRPJZDUCBNJNX-UHFFFAOYSA-N
MW388.23 g/mol
LogP5.13
Rot. Bonds3

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

6-[(2,6-dichlorophenyl)methylamino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one (PubChem CID 25096276) has the molecular formula C19H12Cl2FN3O and a molecular weight of 388.23 g/mol. Its IUPAC name is 6-[(2,6-dichlorophenyl)methylamino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one.

Molecular Properties

Compound Name6-[(2,6-dichlorophenyl)methylamino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one
PubChem CID25096276
Molecular FormulaC19H12Cl2FN3O
Molecular Weight388.23 g/mol
Exact Mass387.03
IUPAC Name6-[(2,6-dichlorophenyl)methylamino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one
SMILESO=c1[nH]ccc2nc(NCc3c(Cl)cccc3Cl)c3ccc(F)cc3c12
InChIInChI=1S/C19H12Cl2FN3O/c20-14-2-1-3-15(21)13(14)9-24-18-11-5-4-10(22)8-12(11)17-16(25-18)6-7-23-19(17)26/h1-8H,9H2,(H,23,26)(H,24,25)
InChIKeySVRPJZDUCBNJNX-UHFFFAOYSA-N
XLogP5.13
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.23
LogP ≤ 55.13
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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Related Compounds

(R)-9-fluoro-6-(1,1,1-trifluoro-3-methylbutan-2-ylamino)benzo[c][1,6]naphthyridin-1(2H)-one
CID 50925513
6-(cyclobutylamino)-9-fluorobenzo[c][1,6]naphthyridin-1(2H)-one
CID 25096019
(S)-9-fluoro-6-(3-methylbutan-2-ylamino)benzo[c][1,6]naphthyridin-1(2H)-one
CID 25096020
6-(3,3-difluorocyclobutylamino)-9-fluorobenzo[c][1,6]naphthyridin-1(2H)-one
CID 25096279
6-(cyclopropylamino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one
CID 25096280
6-(cyclopropyl(1-methylpiperidin-4-yl)amino)-9-fluorobenzo[c][1,6]naphthyridin-1(2H)-one
CID 25097027
(S)-9-fluoro-6-(1,1,1-trifluoro-3-methylbutan-2-ylamino)benzo[c][1,6]naphthyridin-1(2H)-one
CID 52942701
9-fluoro-6-(3-hydroxy-2,2-dimethylpropylamino)benzo[c][1,6]naphthyridin-1(2H)-one
CID 52942702
9-fluoro-6-(isopropylamino)benzo[c][1,6]naphthyridin-1(2H)-one
CID 52944434
6-(2,6-dichlorophenylamino)-9-fluorobenzo[c][1,6]naphthyridin-1(2H)-one
CID 52946313
6-(2-chloro-4,6-difluorophenylamino)-9-fluorobenzo[c][1,6]naphthyridin-1(2H)-one
CID 52948678
6-(3,3-dimethylbutan-2-ylamino)-9-fluorobenzo[c][1,6]naphthyridin-1(2H)-one
CID 52949798

Frequently Asked Questions

What is the IUPAC name of 6-[(2,6-dichlorophenyl)methylamino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one?
The IUPAC name of 6-[(2,6-dichlorophenyl)methylamino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one (CID 25096276) is 6-[(2,6-dichlorophenyl)methylamino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one.
What is the SMILES notation for 6-[(2,6-dichlorophenyl)methylamino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one?
The canonical SMILES for 6-[(2,6-dichlorophenyl)methylamino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one is O=c1[nH]ccc2nc(NCc3c(Cl)cccc3Cl)c3ccc(F)cc3c12.
What is the InChIKey of 6-[(2,6-dichlorophenyl)methylamino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one?
The InChIKey is SVRPJZDUCBNJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2FN3O/c20-14-2-1-3-15(21)13(14)9-24-18-11-5-4-10(22)8-12(11)17-16(25-18)6-7-23-19(17)26/h1-8H,9H2,(H,23,26)(H,24,25).
What are the key properties of 6-[(2,6-dichlorophenyl)methylamino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one?
6-[(2,6-dichlorophenyl)methylamino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one has a molecular weight of 388.23 g/mol, XLogP of 5.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,6-dichlorophenyl)methylamino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one is sourced from PubChem (CID 25096276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).