7-fluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-3-carboxamide

C14H11FN2O2 — CID 146430241

IUPAC7-fluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-3-carboxamide
SMILESCC1=CCc2cc(F)cc3c(=O)c(C(N)=O)cn1c23
InChIInChI=1S/C14H11FN2O2/c1-7-2-3-8-4-9(15)5-10-12(8)17(7)6-11(13(10)18)14(16)19/h2,4-6H,3H2,1H3,(H2,16,19)
InChIKeyMNESQPIIOBFOGK-UHFFFAOYSA-N
MW258.25 g/mol
LogP1.66
Rot. Bonds1

About 7-fluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-3-carboxamide

7-fluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-3-carboxamide (PubChem CID 146430241) has the molecular formula C14H11FN2O2 and a molecular weight of 258.25 g/mol. Its IUPAC name is 7-fluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-3-carboxamide.

Molecular Properties

Compound Name7-fluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-3-carboxamide
PubChem CID146430241
Molecular FormulaC14H11FN2O2
Molecular Weight258.25 g/mol
Exact Mass258.08
IUPAC Name7-fluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-3-carboxamide
SMILESCC1=CCc2cc(F)cc3c(=O)c(C(N)=O)cn1c23
InChIInChI=1S/C14H11FN2O2/c1-7-2-3-8-4-9(15)5-10-12(8)17(7)6-11(13(10)18)14(16)19/h2,4-6H,3H2,1H3,(H2,16,19)
InChIKeyMNESQPIIOBFOGK-UHFFFAOYSA-N
XLogP1.66
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-fluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-3-carboxamide with MolForge

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Related Compounds

6-[(4,4-difluoropiperidin-1-yl)methyl]-8-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxamide
CID 121447936
1-ethyl-8-fluoro-6,7-dihydroxy-4-oxoquinoline-3-carboxamide
CID 90373252
1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxamide
CID 24952472
1-[4-(1,3-dihydroxy-2-methylpropan-2-yl)phenyl]-6-fluoro-4-oxoquinoline-3-carboxamide
CID 174655680
2-[[6-carbamoyl-5-oxo-8-(2,4,6-trifluorophenyl)-1,8-naphthyridin-2-yl]-methylamino]acetic acid
CID 155051446
6-[[(3,3-difluorocyclobutyl)-methylamino]methyl]-8-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxamide
CID 121447880
6-fluoro-4-oxo-7-piperazin-1-yl-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 134359952
6-fluoro-4-oxo-1-[4-(4-oxobutan-2-yl)phenyl]quinoline-3-carboxamide
CID 174667318
ethyl 7,8-difluoro-4-oxo-1-azatricyclo[7.4.1.05,14]tetradeca-2,5,7,9(14),11-pentaene-3-carboxylate
CID 169153087
7-[3,3-bis(hydroxymethyl)azetidin-1-yl]-6-fluoro-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 134360094
7-fluoro-10,12-dimethyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8-tetraene-3-carboxylic acid
CID 21445360
5-fluoro-2,3-dimethylbenzamide
CID 118990937

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-3-carboxamide?
The IUPAC name of 7-fluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-3-carboxamide (CID 146430241) is 7-fluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-3-carboxamide.
What is the SMILES notation for 7-fluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-3-carboxamide?
The canonical SMILES for 7-fluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-3-carboxamide is CC1=CCc2cc(F)cc3c(=O)c(C(N)=O)cn1c23.
What is the InChIKey of 7-fluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-3-carboxamide?
The InChIKey is MNESQPIIOBFOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2/c1-7-2-3-8-4-9(15)5-10-12(8)17(7)6-11(13(10)18)14(16)19/h2,4-6H,3H2,1H3,(H2,16,19).
What are the key properties of 7-fluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-3-carboxamide?
7-fluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-3-carboxamide has a molecular weight of 258.25 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-3-carboxamide is sourced from PubChem (CID 146430241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).