6-fluoro-7,9-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline

C14H14FN — CID 176630668

IUPAC6-fluoro-7,9-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline
SMILESCc1cc2c(C)c3c(nc2cc1F)CCC3
InChIInChI=1S/C14H14FN/c1-8-6-11-9(2)10-4-3-5-13(10)16-14(11)7-12(8)15/h6-7H,3-5H2,1-2H3
InChIKeyTYVXUPOAIPRGLA-UHFFFAOYSA-N
MW215.27 g/mol
LogP3.48
Rot. Bonds

About 6-fluoro-7,9-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline

6-fluoro-7,9-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline (PubChem CID 176630668) has the molecular formula C14H14FN and a molecular weight of 215.27 g/mol. Its IUPAC name is 6-fluoro-7,9-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline.

Molecular Properties

Compound Name6-fluoro-7,9-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline
PubChem CID176630668
Molecular FormulaC14H14FN
Molecular Weight215.27 g/mol
Exact Mass215.11
IUPAC Name6-fluoro-7,9-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline
SMILESCc1cc2c(C)c3c(nc2cc1F)CCC3
InChIInChI=1S/C14H14FN/c1-8-6-11-9(2)10-4-3-5-13(10)16-14(11)7-12(8)15/h6-7H,3-5H2,1-2H3
InChIKeyTYVXUPOAIPRGLA-UHFFFAOYSA-N
XLogP3.48
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7,9-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline?
The IUPAC name of 6-fluoro-7,9-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline (CID 176630668) is 6-fluoro-7,9-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline.
What is the SMILES notation for 6-fluoro-7,9-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline?
The canonical SMILES for 6-fluoro-7,9-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline is Cc1cc2c(C)c3c(nc2cc1F)CCC3.
What is the InChIKey of 6-fluoro-7,9-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline?
The InChIKey is TYVXUPOAIPRGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN/c1-8-6-11-9(2)10-4-3-5-13(10)16-14(11)7-12(8)15/h6-7H,3-5H2,1-2H3.
What are the key properties of 6-fluoro-7,9-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline?
6-fluoro-7,9-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline has a molecular weight of 215.27 g/mol, XLogP of 3.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7,9-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline is sourced from PubChem (CID 176630668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).