3,3,5,8-tetramethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid

C17H19NO2 — CID 79865003

IUPAC3,3,5,8-tetramethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
SMILESCc1ccc(C)c2c(C(=O)O)c3c(nc12)C(C)(C)CC3
InChIInChI=1S/C17H19NO2/c1-9-5-6-10(2)14-12(9)13(16(19)20)11-7-8-17(3,4)15(11)18-14/h5-6H,7-8H2,1-4H3,(H,19,20)
InChIKeyVYPSWONSLWIXTJ-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.77
Rot. Bonds1

About 3,3,5,8-tetramethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid

3,3,5,8-tetramethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid (PubChem CID 79865003) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3,3,5,8-tetramethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid.

Molecular Properties

Compound Name3,3,5,8-tetramethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
PubChem CID79865003
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name3,3,5,8-tetramethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
SMILESCc1ccc(C)c2c(C(=O)O)c3c(nc12)C(C)(C)CC3
InChIInChI=1S/C17H19NO2/c1-9-5-6-10(2)14-12(9)13(16(19)20)11-7-8-17(3,4)15(11)18-14/h5-6H,7-8H2,1-4H3,(H,19,20)
InChIKeyVYPSWONSLWIXTJ-UHFFFAOYSA-N
XLogP3.77
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,5,8-tetramethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid?
The IUPAC name of 3,3,5,8-tetramethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid (CID 79865003) is 3,3,5,8-tetramethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid.
What is the SMILES notation for 3,3,5,8-tetramethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid?
The canonical SMILES for 3,3,5,8-tetramethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid is Cc1ccc(C)c2c(C(=O)O)c3c(nc12)C(C)(C)CC3.
What is the InChIKey of 3,3,5,8-tetramethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid?
The InChIKey is VYPSWONSLWIXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-9-5-6-10(2)14-12(9)13(16(19)20)11-7-8-17(3,4)15(11)18-14/h5-6H,7-8H2,1-4H3,(H,19,20).
What are the key properties of 3,3,5,8-tetramethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid?
3,3,5,8-tetramethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,8-tetramethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid is sourced from PubChem (CID 79865003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).