2-(3,4-dihydro-2H-quinolin-1-yl)cyclopentane-1-carboxylic acid

C15H19NO2 — CID 63068563

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1N1CCCc2ccccc21
InChIInChI=1S/C15H19NO2/c17-15(18)12-7-3-9-14(12)16-10-4-6-11-5-1-2-8-13(11)16/h1-2,5,8,12,14H,3-4,6-7,9-10H2,(H,17,18)
InChIKeyOZMJDXDUXVPCMN-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.69
Rot. Bonds2

About 2-(3,4-dihydro-2H-quinolin-1-yl)cyclopentane-1-carboxylic acid

2-(3,4-dihydro-2H-quinolin-1-yl)cyclopentane-1-carboxylic acid (PubChem CID 63068563) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)cyclopentane-1-carboxylic acid
PubChem CID63068563
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1N1CCCc2ccccc21
InChIInChI=1S/C15H19NO2/c17-15(18)12-7-3-9-14(12)16-10-4-6-11-5-1-2-8-13(11)16/h1-2,5,8,12,14H,3-4,6-7,9-10H2,(H,17,18)
InChIKeyOZMJDXDUXVPCMN-UHFFFAOYSA-N
XLogP2.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-oxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid
CID 64818226
2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cycloheptane-1-carboxylic acid
CID 63530964
3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-1-carboxylic acid
CID 67493051
2-(3,4-dihydro-1H-isoquinolin-2-yl)cycloheptane-1-carboxylic acid
CID 63067209
2-(1-oxo-3,4-dihydroisoquinolin-2-yl)cycloheptane-1-carboxylic acid
CID 83091156
(1R,6S)-6-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 1225798
2-(3,4-dihydro-2H-quinolin-1-yl)cyclohexane-1-carbonitrile
CID 43291742
1-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidine-4-carboxylic acid
CID 28513192
2-(1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-yl)acetic acid
CID 82390555
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)cyclopentane-1-carboxylic acid
CID 55160402
cis-(1R,3S)-3-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)cyclohexane-1-carboxylic acid
CID 124606569
3-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid
CID 139695348

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)cyclopentane-1-carboxylic acid (CID 63068563) is 2-(3,4-dihydro-2H-quinolin-1-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1N1CCCc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)cyclopentane-1-carboxylic acid?
The InChIKey is OZMJDXDUXVPCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c17-15(18)12-7-3-9-14(12)16-10-4-6-11-5-1-2-8-13(11)16/h1-2,5,8,12,14H,3-4,6-7,9-10H2,(H,17,18).
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)cyclopentane-1-carboxylic acid?
2-(3,4-dihydro-2H-quinolin-1-yl)cyclopentane-1-carboxylic acid has a molecular weight of 245.32 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 63068563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).