2,6-di(cyclohexen-1-yl)quinoline-5-carboxylic acid

C22H23NO2 — CID 118556124

IUPAC2,6-di(cyclohexen-1-yl)quinoline-5-carboxylic acid
SMILESO=C(O)c1c(C2=CCCCC2)ccc2nc(C3=CCCCC3)ccc12
InChIInChI=1S/C22H23NO2/c24-22(25)21-17(15-7-3-1-4-8-15)11-14-20-18(21)12-13-19(23-20)16-9-5-2-6-10-16/h7,9,11-14H,1-6,8,10H2,(H,24,25)
InChIKeyZFNVBLOYZDYMJV-UHFFFAOYSA-N
MW333.43 g/mol
LogP5.85
Rot. Bonds3

About 2,6-di(cyclohexen-1-yl)quinoline-5-carboxylic acid

2,6-di(cyclohexen-1-yl)quinoline-5-carboxylic acid (PubChem CID 118556124) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2,6-di(cyclohexen-1-yl)quinoline-5-carboxylic acid.

Molecular Properties

Compound Name2,6-di(cyclohexen-1-yl)quinoline-5-carboxylic acid
PubChem CID118556124
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name2,6-di(cyclohexen-1-yl)quinoline-5-carboxylic acid
SMILESO=C(O)c1c(C2=CCCCC2)ccc2nc(C3=CCCCC3)ccc12
InChIInChI=1S/C22H23NO2/c24-22(25)21-17(15-7-3-1-4-8-15)11-14-20-18(21)12-13-19(23-20)16-9-5-2-6-10-16/h7,9,11-14H,1-6,8,10H2,(H,24,25)
InChIKeyZFNVBLOYZDYMJV-UHFFFAOYSA-N
XLogP5.85
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cinchophen
CID 8593
Brequinar
CID 57030
Quinaldic Acid
CID 7124
Bicinchoninic acid
CID 71068
Neocinchophen
CID 68089
4-Quinolinecarboxylic acid
CID 10243
Tetrophan
CID 120171
2,6-Diphenylisonicotinic acid
CID 3490694
Mefloquine carboxylic acid
CID 169721
Brequinar Analog
CID 1543
2,6-Dimethylquinoline-3-carboxylic acid
CID 3159812
2-(4-Bromophenyl)quinoline-4-carboxylic acid
CID 230595

Frequently Asked Questions

What is the IUPAC name of 2,6-di(cyclohexen-1-yl)quinoline-5-carboxylic acid?
The IUPAC name of 2,6-di(cyclohexen-1-yl)quinoline-5-carboxylic acid (CID 118556124) is 2,6-di(cyclohexen-1-yl)quinoline-5-carboxylic acid.
What is the SMILES notation for 2,6-di(cyclohexen-1-yl)quinoline-5-carboxylic acid?
The canonical SMILES for 2,6-di(cyclohexen-1-yl)quinoline-5-carboxylic acid is O=C(O)c1c(C2=CCCCC2)ccc2nc(C3=CCCCC3)ccc12.
What is the InChIKey of 2,6-di(cyclohexen-1-yl)quinoline-5-carboxylic acid?
The InChIKey is ZFNVBLOYZDYMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c24-22(25)21-17(15-7-3-1-4-8-15)11-14-20-18(21)12-13-19(23-20)16-9-5-2-6-10-16/h7,9,11-14H,1-6,8,10H2,(H,24,25).
What are the key properties of 2,6-di(cyclohexen-1-yl)quinoline-5-carboxylic acid?
2,6-di(cyclohexen-1-yl)quinoline-5-carboxylic acid has a molecular weight of 333.43 g/mol, XLogP of 5.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(cyclohexen-1-yl)quinoline-5-carboxylic acid is sourced from PubChem (CID 118556124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).