6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one

C19H23FN4O — CID 25096274

IUPAC6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one
SMILESCN(C)CC(C)(C)CNc1nc2cc[nH]c(=O)c2c2cc(F)ccc12
InChIInChI=1S/C19H23FN4O/c1-19(2,11-24(3)4)10-22-17-13-6-5-12(20)9-14(13)16-15(23-17)7-8-21-18(16)25/h5-9H,10-11H2,1-4H3,(H,21,25)(H,22,23)
InChIKeyDDENGOKBDROKPS-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.22
Rot. Bonds5

About 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one

6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one (PubChem CID 25096274) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one.

Molecular Properties

Compound Name6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one
PubChem CID25096274
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one
SMILESCN(C)CC(C)(C)CNc1nc2cc[nH]c(=O)c2c2cc(F)ccc12
InChIInChI=1S/C19H23FN4O/c1-19(2,11-24(3)4)10-22-17-13-6-5-12(20)9-14(13)16-15(23-17)7-8-21-18(16)25/h5-9H,10-11H2,1-4H3,(H,21,25)(H,22,23)
InChIKeyDDENGOKBDROKPS-UHFFFAOYSA-N
XLogP3.22
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one?
The IUPAC name of 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one (CID 25096274) is 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one.
What is the SMILES notation for 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one?
The canonical SMILES for 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one is CN(C)CC(C)(C)CNc1nc2cc[nH]c(=O)c2c2cc(F)ccc12.
What is the InChIKey of 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one?
The InChIKey is DDENGOKBDROKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-19(2,11-24(3)4)10-22-17-13-6-5-12(20)9-14(13)16-15(23-17)7-8-21-18(16)25/h5-9H,10-11H2,1-4H3,(H,21,25)(H,22,23).
What are the key properties of 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one?
6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one has a molecular weight of 342.42 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one is sourced from PubChem (CID 25096274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).