4-cyclohexylquinoline-2-carboxylic acid

C16H17NO2 — CID 3002267

IUPAC4-cyclohexylquinoline-2-carboxylic acid
SMILESO=C(O)c1cc(C2CCCCC2)c2ccccc2n1
InChIInChI=1S/C16H17NO2/c18-16(19)15-10-13(11-6-2-1-3-7-11)12-8-4-5-9-14(12)17-15/h4-5,8-11H,1-3,6-7H2,(H,18,19)
InChIKeyMAFHZIOYIBTNHT-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.98
Rot. Bonds2

About 4-cyclohexylquinoline-2-carboxylic acid

4-cyclohexylquinoline-2-carboxylic acid (PubChem CID 3002267) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-cyclohexylquinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-cyclohexylquinoline-2-carboxylic acid
PubChem CID3002267
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name4-cyclohexylquinoline-2-carboxylic acid
SMILESO=C(O)c1cc(C2CCCCC2)c2ccccc2n1
InChIInChI=1S/C16H17NO2/c18-16(19)15-10-13(11-6-2-1-3-7-11)12-8-4-5-9-14(12)17-15/h4-5,8-11H,1-3,6-7H2,(H,18,19)
InChIKeyMAFHZIOYIBTNHT-UHFFFAOYSA-N
XLogP3.98
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cinchophen
CID 8593
Brequinar
CID 57030
Quinaldic Acid
CID 7124
Oxycinchophen
CID 10239
Bicinchoninic acid
CID 71068
4-Quinolinecarboxylic acid
CID 10243
Neocinchophen
CID 68089
Tetrophan
CID 120171
Isoquinoline-3-carboxylic acid
CID 124656
2-(4-Bromophenyl)quinoline-4-carboxylic acid
CID 230595
2,6-Diphenylisonicotinic acid
CID 3490694
2,3-Quinolinedicarboxylic acid
CID 69508

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylquinoline-2-carboxylic acid?
The IUPAC name of 4-cyclohexylquinoline-2-carboxylic acid (CID 3002267) is 4-cyclohexylquinoline-2-carboxylic acid.
What is the SMILES notation for 4-cyclohexylquinoline-2-carboxylic acid?
The canonical SMILES for 4-cyclohexylquinoline-2-carboxylic acid is O=C(O)c1cc(C2CCCCC2)c2ccccc2n1.
What is the InChIKey of 4-cyclohexylquinoline-2-carboxylic acid?
The InChIKey is MAFHZIOYIBTNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c18-16(19)15-10-13(11-6-2-1-3-7-11)12-8-4-5-9-14(12)17-15/h4-5,8-11H,1-3,6-7H2,(H,18,19).
What are the key properties of 4-cyclohexylquinoline-2-carboxylic acid?
4-cyclohexylquinoline-2-carboxylic acid has a molecular weight of 255.32 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylquinoline-2-carboxylic acid is sourced from PubChem (CID 3002267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).