9-fluoro-6-methyl-1,2,3,4,4a,10b-hexahydrobenzo[c][2,6]naphthyridin-5-one

C13H15FN2O — CID 84627721

IUPAC9-fluoro-6-methyl-1,2,3,4,4a,10b-hexahydrobenzo[c][2,6]naphthyridin-5-one
SMILESCN1C(=O)C2CCNCC2c2cc(F)ccc21
InChIInChI=1S/C13H15FN2O/c1-16-12-3-2-8(14)6-10(12)11-7-15-5-4-9(11)13(16)17/h2-3,6,9,11,15H,4-5,7H2,1H3
InChIKeyVHWZJCKHEOEPEL-UHFFFAOYSA-N
MW234.27 g/mol
LogP1.50
Rot. Bonds

About 9-fluoro-6-methyl-1,2,3,4,4a,10b-hexahydrobenzo[c][2,6]naphthyridin-5-one

9-fluoro-6-methyl-1,2,3,4,4a,10b-hexahydrobenzo[c][2,6]naphthyridin-5-one (PubChem CID 84627721) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 9-fluoro-6-methyl-1,2,3,4,4a,10b-hexahydrobenzo[c][2,6]naphthyridin-5-one.

Molecular Properties

Compound Name9-fluoro-6-methyl-1,2,3,4,4a,10b-hexahydrobenzo[c][2,6]naphthyridin-5-one
PubChem CID84627721
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name9-fluoro-6-methyl-1,2,3,4,4a,10b-hexahydrobenzo[c][2,6]naphthyridin-5-one
SMILESCN1C(=O)C2CCNCC2c2cc(F)ccc21
InChIInChI=1S/C13H15FN2O/c1-16-12-3-2-8(14)6-10(12)11-7-15-5-4-9(11)13(16)17/h2-3,6,9,11,15H,4-5,7H2,1H3
InChIKeyVHWZJCKHEOEPEL-UHFFFAOYSA-N
XLogP1.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-6-methyl-1,2,3,4,4a,10b-hexahydrobenzo[c][2,6]naphthyridin-5-one?
The IUPAC name of 9-fluoro-6-methyl-1,2,3,4,4a,10b-hexahydrobenzo[c][2,6]naphthyridin-5-one (CID 84627721) is 9-fluoro-6-methyl-1,2,3,4,4a,10b-hexahydrobenzo[c][2,6]naphthyridin-5-one.
What is the SMILES notation for 9-fluoro-6-methyl-1,2,3,4,4a,10b-hexahydrobenzo[c][2,6]naphthyridin-5-one?
The canonical SMILES for 9-fluoro-6-methyl-1,2,3,4,4a,10b-hexahydrobenzo[c][2,6]naphthyridin-5-one is CN1C(=O)C2CCNCC2c2cc(F)ccc21.
What is the InChIKey of 9-fluoro-6-methyl-1,2,3,4,4a,10b-hexahydrobenzo[c][2,6]naphthyridin-5-one?
The InChIKey is VHWZJCKHEOEPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-16-12-3-2-8(14)6-10(12)11-7-15-5-4-9(11)13(16)17/h2-3,6,9,11,15H,4-5,7H2,1H3.
What are the key properties of 9-fluoro-6-methyl-1,2,3,4,4a,10b-hexahydrobenzo[c][2,6]naphthyridin-5-one?
9-fluoro-6-methyl-1,2,3,4,4a,10b-hexahydrobenzo[c][2,6]naphthyridin-5-one has a molecular weight of 234.27 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-6-methyl-1,2,3,4,4a,10b-hexahydrobenzo[c][2,6]naphthyridin-5-one is sourced from PubChem (CID 84627721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).