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

C14H11Cl2NO2 — CID 82451651

IUPAC2-(6,8-dichloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetic acid
SMILESO=C(O)Cc1c2c(nc3cc(Cl)cc(Cl)c13)CCC2
InChIInChI=1S/C14H11Cl2NO2/c15-7-4-10(16)14-9(6-13(18)19)8-2-1-3-11(8)17-12(14)5-7/h4-5H,1-3,6H2,(H,18,19)
InChIKeyYOMIKDCNQFUJCB-UHFFFAOYSA-N
MW296.15 g/mol
LogP3.66
Rot. Bonds2

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

2-(6,8-dichloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetic acid (PubChem CID 82451651) has the molecular formula C14H11Cl2NO2 and a molecular weight of 296.15 g/mol. Its IUPAC name is 2-(6,8-dichloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetic acid.

Molecular Properties

Compound Name2-(6,8-dichloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetic acid
PubChem CID82451651
Molecular FormulaC14H11Cl2NO2
Molecular Weight296.15 g/mol
Exact Mass295.02
IUPAC Name2-(6,8-dichloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetic acid
SMILESO=C(O)Cc1c2c(nc3cc(Cl)cc(Cl)c13)CCC2
InChIInChI=1S/C14H11Cl2NO2/c15-7-4-10(16)14-9(6-13(18)19)8-2-1-3-11(8)17-12(14)5-7/h4-5H,1-3,6H2,(H,18,19)
InChIKeyYOMIKDCNQFUJCB-UHFFFAOYSA-N
XLogP3.66
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.15
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6,8-dichloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol
CID 82451652
2-(6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetic acid
CID 82450852
2-(7-fluoro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetic acid
CID 82451440
3-(6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propanoic acid
CID 82450866
2-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)acetic acid
CID 82452003
3-(7-chloro-5-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propanoic acid
CID 82451847
8-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid
CID 61357942
2-[(4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)oxy]acetic acid
CID 118205335
N'-(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine
CID 69189756
(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol
CID 82451346
3-(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)propanoic acid
CID 82451226
7-chloro-N-(2,6-diethylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108786468

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dichloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetic acid?
The IUPAC name of 2-(6,8-dichloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetic acid (CID 82451651) is 2-(6,8-dichloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetic acid.
What is the SMILES notation for 2-(6,8-dichloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetic acid?
The canonical SMILES for 2-(6,8-dichloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetic acid is O=C(O)Cc1c2c(nc3cc(Cl)cc(Cl)c13)CCC2.
What is the InChIKey of 2-(6,8-dichloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetic acid?
The InChIKey is YOMIKDCNQFUJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO2/c15-7-4-10(16)14-9(6-13(18)19)8-2-1-3-11(8)17-12(14)5-7/h4-5H,1-3,6H2,(H,18,19).
What are the key properties of 2-(6,8-dichloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetic acid?
2-(6,8-dichloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetic acid has a molecular weight of 296.15 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dichloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetic acid is sourced from PubChem (CID 82451651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).