3-(6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propanoic acid

C17H19NO2 — CID 82450866

IUPAC3-(6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propanoic acid
SMILESCc1cc(C)c2c(CCC(=O)O)c3c(nc2c1)CCC3
InChIInChI=1S/C17H19NO2/c1-10-8-11(2)17-13(6-7-16(19)20)12-4-3-5-14(12)18-15(17)9-10/h8-9H,3-7H2,1-2H3,(H,19,20)
InChIKeyNCAKPGHJCQTSRJ-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.36
Rot. Bonds3

About 3-(6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propanoic acid

3-(6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propanoic acid (PubChem CID 82450866) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-(6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propanoic acid.

Molecular Properties

Compound Name3-(6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propanoic acid
PubChem CID82450866
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name3-(6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propanoic acid
SMILESCc1cc(C)c2c(CCC(=O)O)c3c(nc2c1)CCC3
InChIInChI=1S/C17H19NO2/c1-10-8-11(2)17-13(6-7-16(19)20)12-4-3-5-14(12)18-15(17)9-10/h8-9H,3-7H2,1-2H3,(H,19,20)
InChIKeyNCAKPGHJCQTSRJ-UHFFFAOYSA-N
XLogP3.36
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetic acid
CID 82450852
1-(6,8-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)-N-methylmethanamine
CID 82450873
9-chloro-6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 61381881
3-(7-chloro-5-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propanoic acid
CID 82451847
3-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)propanoic acid
CID 82452010
6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbothioamide
CID 82450847
2-(6,8-dichloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetic acid
CID 82451651
(6,8-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)hydrazine
CID 62250780
(2-ethyl-7,9-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine
CID 82450935
3-(4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)propanoic acid
CID 105494737
3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid;7-methyl-1,2,3,4-tetrahydroacridin-9-amine
CID 3095485
3-(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)propanoic acid
CID 82451226

Frequently Asked Questions

What is the IUPAC name of 3-(6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propanoic acid?
The IUPAC name of 3-(6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propanoic acid (CID 82450866) is 3-(6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propanoic acid.
What is the SMILES notation for 3-(6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propanoic acid?
The canonical SMILES for 3-(6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propanoic acid is Cc1cc(C)c2c(CCC(=O)O)c3c(nc2c1)CCC3.
What is the InChIKey of 3-(6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propanoic acid?
The InChIKey is NCAKPGHJCQTSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-10-8-11(2)17-13(6-7-16(19)20)12-4-3-5-14(12)18-15(17)9-10/h8-9H,3-7H2,1-2H3,(H,19,20).
What are the key properties of 3-(6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propanoic acid?
3-(6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propanoic acid has a molecular weight of 269.34 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propanoic acid is sourced from PubChem (CID 82450866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).