4-(2-quinolin-3-ylethylamino)cyclohexane-1-carboxylic acid

C18H22N2O2 — CID 167889183

IUPAC4-(2-quinolin-3-ylethylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCCc2cnc3ccccc3c2)CC1
InChIInChI=1S/C18H22N2O2/c21-18(22)14-5-7-16(8-6-14)19-10-9-13-11-15-3-1-2-4-17(15)20-12-13/h1-4,11-12,14,16,19H,5-10H2,(H,21,22)
InChIKeyJIWOVMIYSHOVGB-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.01
Rot. Bonds5

About 4-(2-quinolin-3-ylethylamino)cyclohexane-1-carboxylic acid

4-(2-quinolin-3-ylethylamino)cyclohexane-1-carboxylic acid (PubChem CID 167889183) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-(2-quinolin-3-ylethylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-quinolin-3-ylethylamino)cyclohexane-1-carboxylic acid
PubChem CID167889183
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name4-(2-quinolin-3-ylethylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCCc2cnc3ccccc3c2)CC1
InChIInChI=1S/C18H22N2O2/c21-18(22)14-5-7-16(8-6-14)19-10-9-13-11-15-3-1-2-4-17(15)20-12-13/h1-4,11-12,14,16,19H,5-10H2,(H,21,22)
InChIKeyJIWOVMIYSHOVGB-UHFFFAOYSA-N
XLogP3.01
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-quinolin-3-ylethylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(2-quinolin-3-ylethylamino)cyclohexane-1-carboxylic acid (CID 167889183) is 4-(2-quinolin-3-ylethylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(2-quinolin-3-ylethylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(2-quinolin-3-ylethylamino)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NCCc2cnc3ccccc3c2)CC1.
What is the InChIKey of 4-(2-quinolin-3-ylethylamino)cyclohexane-1-carboxylic acid?
The InChIKey is JIWOVMIYSHOVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c21-18(22)14-5-7-16(8-6-14)19-10-9-13-11-15-3-1-2-4-17(15)20-12-13/h1-4,11-12,14,16,19H,5-10H2,(H,21,22).
What are the key properties of 4-(2-quinolin-3-ylethylamino)cyclohexane-1-carboxylic acid?
4-(2-quinolin-3-ylethylamino)cyclohexane-1-carboxylic acid has a molecular weight of 298.39 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-quinolin-3-ylethylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 167889183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).