3-ethyl-1-(quinolin-4-ylmethyl)cyclopentane-1-carboxylic acid

C18H21NO2 — CID 79423240

IUPAC3-ethyl-1-(quinolin-4-ylmethyl)cyclopentane-1-carboxylic acid
SMILESCCC1CCC(Cc2ccnc3ccccc23)(C(=O)O)C1
InChIInChI=1S/C18H21NO2/c1-2-13-7-9-18(11-13,17(20)21)12-14-8-10-19-16-6-4-3-5-15(14)16/h3-6,8,10,13H,2,7,9,11-12H2,1H3,(H,20,21)
InChIKeyXCKQFYCUPGQGKY-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.06
Rot. Bonds4

About 3-ethyl-1-(quinolin-4-ylmethyl)cyclopentane-1-carboxylic acid

3-ethyl-1-(quinolin-4-ylmethyl)cyclopentane-1-carboxylic acid (PubChem CID 79423240) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-ethyl-1-(quinolin-4-ylmethyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(quinolin-4-ylmethyl)cyclopentane-1-carboxylic acid
PubChem CID79423240
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name3-ethyl-1-(quinolin-4-ylmethyl)cyclopentane-1-carboxylic acid
SMILESCCC1CCC(Cc2ccnc3ccccc23)(C(=O)O)C1
InChIInChI=1S/C18H21NO2/c1-2-13-7-9-18(11-13,17(20)21)12-14-8-10-19-16-6-4-3-5-15(14)16/h3-6,8,10,13H,2,7,9,11-12H2,1H3,(H,20,21)
InChIKeyXCKQFYCUPGQGKY-UHFFFAOYSA-N
XLogP4.06
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-(pyridin-2-ylmethyl)cyclopentane-1-carboxylic acid
CID 79428964
1-(quinolin-4-ylmethyl)cycloheptane-1-carboxylic acid
CID 79423213
1,1-dioxo-3-(quinolin-4-ylmethyl)thiolane-3-carboxylic acid
CID 115337922
3-ethyl-1-quinolin-5-ylcyclopentan-1-ol
CID 81216281
1-(1,3-benzothiazol-2-ylmethyl)-4-ethylcyclohexane-1-carboxylic acid
CID 104632347
4-(cyclopropylmethyl)-1-quinolin-4-ylpiperidine-4-carboxylic acid
CID 56877227
4-ethyl-2-(quinolin-4-ylmethyl)cyclohexan-1-ol
CID 79424258
1-[(quinoline-4-carbonylamino)methyl]cyclopropane-1-carboxylic acid
CID 115449424
3-fluoro-3-(quinolin-4-ylmethyl)cyclohexan-1-amine
CID 112567479
1-quinolin-4-ylbutan-2-one
CID 15695851
1-[(3-chloro-4-fluorophenyl)methyl]-3-ethylcyclopentane-1-carboxylic acid
CID 103041924
3-methyl-1-(naphthalen-1-ylmethyl)cyclohexane-1-carboxylic acid
CID 65393655

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(quinolin-4-ylmethyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-ethyl-1-(quinolin-4-ylmethyl)cyclopentane-1-carboxylic acid (CID 79423240) is 3-ethyl-1-(quinolin-4-ylmethyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(quinolin-4-ylmethyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(quinolin-4-ylmethyl)cyclopentane-1-carboxylic acid is CCC1CCC(Cc2ccnc3ccccc23)(C(=O)O)C1.
What is the InChIKey of 3-ethyl-1-(quinolin-4-ylmethyl)cyclopentane-1-carboxylic acid?
The InChIKey is XCKQFYCUPGQGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-13-7-9-18(11-13,17(20)21)12-14-8-10-19-16-6-4-3-5-15(14)16/h3-6,8,10,13H,2,7,9,11-12H2,1H3,(H,20,21).
What are the key properties of 3-ethyl-1-(quinolin-4-ylmethyl)cyclopentane-1-carboxylic acid?
3-ethyl-1-(quinolin-4-ylmethyl)cyclopentane-1-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(quinolin-4-ylmethyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79423240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).