6-fluoro-8-methyl-1,10-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaene-3-carboxylic acid

C16H15FN2O2 — CID 106893252

IUPAC6-fluoro-8-methyl-1,10-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaene-3-carboxylic acid
SMILESCc1cc(F)cc2c(C(=O)O)c3c(nc12)C1CCN3CC1
InChIInChI=1S/C16H15FN2O2/c1-8-6-10(17)7-11-12(16(20)21)15-14(18-13(8)11)9-2-4-19(15)5-3-9/h6-7,9H,2-5H2,1H3,(H,20,21)
InChIKeyWKPFIKZCYNYVOL-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.08
Rot. Bonds1

About 6-fluoro-8-methyl-1,10-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaene-3-carboxylic acid

6-fluoro-8-methyl-1,10-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaene-3-carboxylic acid (PubChem CID 106893252) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 6-fluoro-8-methyl-1,10-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaene-3-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-8-methyl-1,10-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaene-3-carboxylic acid
PubChem CID106893252
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name6-fluoro-8-methyl-1,10-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaene-3-carboxylic acid
SMILESCc1cc(F)cc2c(C(=O)O)c3c(nc12)C1CCN3CC1
InChIInChI=1S/C16H15FN2O2/c1-8-6-10(17)7-11-12(16(20)21)15-14(18-13(8)11)9-2-4-19(15)5-3-9/h6-7,9H,2-5H2,1H3,(H,20,21)
InChIKeyWKPFIKZCYNYVOL-UHFFFAOYSA-N
XLogP3.08
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-8-methyl-1,10-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaene-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-methyl-1,10-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaene-3-carboxylic acid?
The IUPAC name of 6-fluoro-8-methyl-1,10-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaene-3-carboxylic acid (CID 106893252) is 6-fluoro-8-methyl-1,10-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaene-3-carboxylic acid.
What is the SMILES notation for 6-fluoro-8-methyl-1,10-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaene-3-carboxylic acid?
The canonical SMILES for 6-fluoro-8-methyl-1,10-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaene-3-carboxylic acid is Cc1cc(F)cc2c(C(=O)O)c3c(nc12)C1CCN3CC1.
What is the InChIKey of 6-fluoro-8-methyl-1,10-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaene-3-carboxylic acid?
The InChIKey is WKPFIKZCYNYVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-8-6-10(17)7-11-12(16(20)21)15-14(18-13(8)11)9-2-4-19(15)5-3-9/h6-7,9H,2-5H2,1H3,(H,20,21).
What are the key properties of 6-fluoro-8-methyl-1,10-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaene-3-carboxylic acid?
6-fluoro-8-methyl-1,10-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaene-3-carboxylic acid has a molecular weight of 286.31 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-methyl-1,10-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaene-3-carboxylic acid is sourced from PubChem (CID 106893252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).