2-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexane-1-carboxylic acid

C16H21NO2 — CID 81008870

IUPAC2-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C1CCCc2cccnc21
InChIInChI=1S/C16H21NO2/c18-16(19)14-8-2-1-7-12(14)13-9-3-5-11-6-4-10-17-15(11)13/h4,6,10,12-14H,1-3,5,7-9H2,(H,18,19)
InChIKeyXTFQNNBLOABDJT-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.39
Rot. Bonds2

About 2-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexane-1-carboxylic acid

2-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexane-1-carboxylic acid (PubChem CID 81008870) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexane-1-carboxylic acid
PubChem CID81008870
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C1CCCc2cccnc21
InChIInChI=1S/C16H21NO2/c18-16(19)14-8-2-1-7-12(14)13-9-3-5-11-6-4-10-17-15(11)13/h4,6,10,12-14H,1-3,5,7-9H2,(H,18,19)
InChIKeyXTFQNNBLOABDJT-UHFFFAOYSA-N
XLogP3.39
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)cyclopentane-1-carboxylic acid
CID 81008553
2-methyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclopentan-1-one
CID 79739041
2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid
CID 130855424
(8S)-5,6,7,8-tetrahydroquinolin-8-ol
CID 11480532
2-(3-methoxy-2-pyridinyl)cycloheptane-1-carboxylic acid
CID 114054225
7-(2-bromocyclopentyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 79748412
(8S)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 164583093
(8R)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 162400504
(2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 79746265
(E)-2-amino-3-(5,6,7,8-tetrahydroquinolin-8-yl)prop-2-enoic acid
CID 104830964
3-cyclohexyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one
CID 115782065
(2-methyl-3-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 105114230

Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexane-1-carboxylic acid (CID 81008870) is 2-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1C1CCCc2cccnc21.
What is the InChIKey of 2-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexane-1-carboxylic acid?
The InChIKey is XTFQNNBLOABDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c18-16(19)14-8-2-1-7-12(14)13-9-3-5-11-6-4-10-17-15(11)13/h4,6,10,12-14H,1-3,5,7-9H2,(H,18,19).
What are the key properties of 2-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexane-1-carboxylic acid?
2-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexane-1-carboxylic acid has a molecular weight of 259.35 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 81008870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).