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

C17H19NO2 — CID 106662876

IUPAC1,1,3,5-tetramethyl-2,3-dihydrocyclopenta[b]quinoline-9-carboxylic acid
SMILESCc1cccc2c(C(=O)O)c3c(nc12)C(C)CC3(C)C
InChIInChI=1S/C17H19NO2/c1-9-6-5-7-11-12(16(19)20)13-15(18-14(9)11)10(2)8-17(13,3)4/h5-7,10H,8H2,1-4H3,(H,19,20)
InChIKeyXMKALNZKFNXYNI-UHFFFAOYSA-N
MW269.34 g/mol
LogP4.03
Rot. Bonds1

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

1,1,3,5-tetramethyl-2,3-dihydrocyclopenta[b]quinoline-9-carboxylic acid (PubChem CID 106662876) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1,1,3,5-tetramethyl-2,3-dihydrocyclopenta[b]quinoline-9-carboxylic acid.

Molecular Properties

Compound Name1,1,3,5-tetramethyl-2,3-dihydrocyclopenta[b]quinoline-9-carboxylic acid
PubChem CID106662876
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name1,1,3,5-tetramethyl-2,3-dihydrocyclopenta[b]quinoline-9-carboxylic acid
SMILESCc1cccc2c(C(=O)O)c3c(nc12)C(C)CC3(C)C
InChIInChI=1S/C17H19NO2/c1-9-6-5-7-11-12(16(19)20)13-15(18-14(9)11)10(2)8-17(13,3)4/h5-7,10H,8H2,1-4H3,(H,19,20)
InChIKeyXMKALNZKFNXYNI-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-6-fluoro-1,1,3-trimethyl-2,3-dihydrocyclopenta[b]quinoline-9-carboxylic acid
CID 106662896
(3R)-1,1,3-trimethyl-9-phenyl-2,3-dihydrocyclopenta[b]quinoline
CID 7180244
4,5-dimethylacridine-9-carboxylate
CID 7095758
4-chloro-8-methylquinoline-2,3-dicarboxylic acid
CID 141332367
8-methyl-2-(4-methylphenyl)-3-pyrrolidin-1-ylquinoline-4-carboxylic acid
CID 16643755
2,5,5,7-tetramethyl-6,7-dihydrocyclopenta[b]pyridine-3-carboxylic acid
CID 106664036
8-methylquinazoline-4-carboxylic acid
CID 124706584
7-bromo-3,5-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid
CID 65046431
2-(2,8-dimethylquinolin-4-yl)acetic acid
CID 82447836
4,8-dimethyl-2-piperidin-1-ylquinoline;2,2,2-trifluoroacetic acid
CID 46891914
2-(2,8-dimethylquinazolin-4-yl)acetic acid
CID 105469517
4-chloro-8-methylquinazolin-2-amine
CID 10035504

Frequently Asked Questions

What is the IUPAC name of 1,1,3,5-tetramethyl-2,3-dihydrocyclopenta[b]quinoline-9-carboxylic acid?
The IUPAC name of 1,1,3,5-tetramethyl-2,3-dihydrocyclopenta[b]quinoline-9-carboxylic acid (CID 106662876) is 1,1,3,5-tetramethyl-2,3-dihydrocyclopenta[b]quinoline-9-carboxylic acid.
What is the SMILES notation for 1,1,3,5-tetramethyl-2,3-dihydrocyclopenta[b]quinoline-9-carboxylic acid?
The canonical SMILES for 1,1,3,5-tetramethyl-2,3-dihydrocyclopenta[b]quinoline-9-carboxylic acid is Cc1cccc2c(C(=O)O)c3c(nc12)C(C)CC3(C)C.
What is the InChIKey of 1,1,3,5-tetramethyl-2,3-dihydrocyclopenta[b]quinoline-9-carboxylic acid?
The InChIKey is XMKALNZKFNXYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-9-6-5-7-11-12(16(19)20)13-15(18-14(9)11)10(2)8-17(13,3)4/h5-7,10H,8H2,1-4H3,(H,19,20).
What are the key properties of 1,1,3,5-tetramethyl-2,3-dihydrocyclopenta[b]quinoline-9-carboxylic acid?
1,1,3,5-tetramethyl-2,3-dihydrocyclopenta[b]quinoline-9-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 4.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,5-tetramethyl-2,3-dihydrocyclopenta[b]quinoline-9-carboxylic acid is sourced from PubChem (CID 106662876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).