7-bromo-3,5-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid

C15H14BrNO2 — CID 65046431

IUPAC7-bromo-3,5-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid
SMILESCc1cc(Br)cc2c(C(=O)O)c3c(nc12)C(C)CC3
InChIInChI=1S/C15H14BrNO2/c1-7-3-4-10-12(15(18)19)11-6-9(16)5-8(2)14(11)17-13(7)10/h5-7H,3-4H2,1-2H3,(H,18,19)
InChIKeyCWYFOZCFFYCQMQ-UHFFFAOYSA-N
MW320.19 g/mol
LogP4.05
Rot. Bonds1

About 7-bromo-3,5-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid

7-bromo-3,5-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid (PubChem CID 65046431) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 7-bromo-3,5-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid.

Molecular Properties

Compound Name7-bromo-3,5-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid
PubChem CID65046431
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name7-bromo-3,5-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid
SMILESCc1cc(Br)cc2c(C(=O)O)c3c(nc12)C(C)CC3
InChIInChI=1S/C15H14BrNO2/c1-7-3-4-10-12(15(18)19)11-6-9(16)5-8(2)14(11)17-13(7)10/h5-7H,3-4H2,1-2H3,(H,18,19)
InChIKeyCWYFOZCFFYCQMQ-UHFFFAOYSA-N
XLogP4.05
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3,5-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid?
The IUPAC name of 7-bromo-3,5-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid (CID 65046431) is 7-bromo-3,5-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid.
What is the SMILES notation for 7-bromo-3,5-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid?
The canonical SMILES for 7-bromo-3,5-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid is Cc1cc(Br)cc2c(C(=O)O)c3c(nc12)C(C)CC3.
What is the InChIKey of 7-bromo-3,5-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid?
The InChIKey is CWYFOZCFFYCQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-7-3-4-10-12(15(18)19)11-6-9(16)5-8(2)14(11)17-13(7)10/h5-7H,3-4H2,1-2H3,(H,18,19).
What are the key properties of 7-bromo-3,5-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid?
7-bromo-3,5-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid has a molecular weight of 320.19 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3,5-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid is sourced from PubChem (CID 65046431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).