3,3,7-trimethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid

C16H17NO2 — CID 79864557

IUPAC3,3,7-trimethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
SMILESCc1ccc2nc3c(c(C(=O)O)c2c1)CCC3(C)C
InChIInChI=1S/C16H17NO2/c1-9-4-5-12-11(8-9)13(15(18)19)10-6-7-16(2,3)14(10)17-12/h4-5,8H,6-7H2,1-3H3,(H,18,19)
InChIKeyROIYHJMPEIMWMW-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.47
Rot. Bonds1

About 3,3,7-trimethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid

3,3,7-trimethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid (PubChem CID 79864557) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3,3,7-trimethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid.

Molecular Properties

Compound Name3,3,7-trimethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
PubChem CID79864557
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name3,3,7-trimethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
SMILESCc1ccc2nc3c(c(C(=O)O)c2c1)CCC3(C)C
InChIInChI=1S/C16H17NO2/c1-9-4-5-12-11(8-9)13(15(18)19)10-6-7-16(2,3)14(10)17-12/h4-5,8H,6-7H2,1-3H3,(H,18,19)
InChIKeyROIYHJMPEIMWMW-UHFFFAOYSA-N
XLogP3.47
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 752870
7-fluoro-3,3,5-trimethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
CID 106893261
(2S)-2,7-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 865217
2,3,6-trimethylquinoline-4-carbonyl chloride
CID 146553345
6-methyl-2-(4-methylphenyl)-3-pyrrolidin-1-ylquinoline-4-carboxylic acid
CID 16643746
3-(dimethylamino)-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 16643744
7-methyl-4-[[4-(methylcarbamoyl)phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 91942267
4,6-dimethylquinazoline-2-carboxylic acid
CID 84776717
2,8-dimethyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxylate
CID 30079032
6-methyl-2-(4-methylphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid
CID 16643751
propan-2-yl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 16600366
6-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 4712139

Frequently Asked Questions

What is the IUPAC name of 3,3,7-trimethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid?
The IUPAC name of 3,3,7-trimethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid (CID 79864557) is 3,3,7-trimethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid.
What is the SMILES notation for 3,3,7-trimethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid?
The canonical SMILES for 3,3,7-trimethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid is Cc1ccc2nc3c(c(C(=O)O)c2c1)CCC3(C)C.
What is the InChIKey of 3,3,7-trimethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid?
The InChIKey is ROIYHJMPEIMWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-9-4-5-12-11(8-9)13(15(18)19)10-6-7-16(2,3)14(10)17-12/h4-5,8H,6-7H2,1-3H3,(H,18,19).
What are the key properties of 3,3,7-trimethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid?
3,3,7-trimethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid has a molecular weight of 255.32 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,7-trimethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid is sourced from PubChem (CID 79864557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).