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

C16H17NO2 — CID 82450852

IUPAC2-(6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetic acid
SMILESCc1cc(C)c2c(CC(=O)O)c3c(nc2c1)CCC3
InChIInChI=1S/C16H17NO2/c1-9-6-10(2)16-12(8-15(18)19)11-4-3-5-13(11)17-14(16)7-9/h6-7H,3-5,8H2,1-2H3,(H,18,19)
InChIKeyQOBPGJXTUPXQOB-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.97
Rot. Bonds2

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

2-(6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetic acid (PubChem CID 82450852) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetic acid.

Molecular Properties

Compound Name2-(6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetic acid
PubChem CID82450852
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-(6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetic acid
SMILESCc1cc(C)c2c(CC(=O)O)c3c(nc2c1)CCC3
InChIInChI=1S/C16H17NO2/c1-9-6-10(2)16-12(8-15(18)19)11-4-3-5-13(11)17-14(16)7-9/h6-7H,3-5,8H2,1-2H3,(H,18,19)
InChIKeyQOBPGJXTUPXQOB-UHFFFAOYSA-N
XLogP2.97
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propanoic acid
CID 82450866
2-(6,8-dichloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetic acid
CID 82451651
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
2-(7-fluoro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetic acid
CID 82451440
6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbothioamide
CID 82450847
2-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)acetic acid
CID 82452003
(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
N-[(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]ethanamine
CID 82450304
2-ethyl-7,9-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbohydrazide
CID 82450941
2-(2-chloro-4,6-dimethylphenyl)acetic acid
CID 59141966

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetic acid?
The IUPAC name of 2-(6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetic acid (CID 82450852) is 2-(6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetic acid.
What is the SMILES notation for 2-(6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetic acid?
The canonical SMILES for 2-(6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetic acid is Cc1cc(C)c2c(CC(=O)O)c3c(nc2c1)CCC3.
What is the InChIKey of 2-(6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetic acid?
The InChIKey is QOBPGJXTUPXQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-9-6-10(2)16-12(8-15(18)19)11-4-3-5-13(11)17-14(16)7-9/h6-7H,3-5,8H2,1-2H3,(H,18,19).
What are the key properties of 2-(6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetic acid?
2-(6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetic acid has a molecular weight of 255.32 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetic acid is sourced from PubChem (CID 82450852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).