4-(2-quinolin-3-ylethylcarbamoyl)bicyclo[2.2.1]heptane-1-carboxylic acid

C20H22N2O3 — CID 146133231

IUPAC4-(2-quinolin-3-ylethylcarbamoyl)bicyclo[2.2.1]heptane-1-carboxylic acid
SMILESO=C(O)C12CCC(C(=O)NCCc3cnc4ccccc4c3)(CC1)C2
InChIInChI=1S/C20H22N2O3/c23-17(19-6-8-20(13-19,9-7-19)18(24)25)21-10-5-14-11-15-3-1-2-4-16(15)22-12-14/h1-4,11-12H,5-10,13H2,(H,21,23)(H,24,25)
InChIKeyGCRNPLOEFUMDFC-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.93
Rot. Bonds5

About 4-(2-quinolin-3-ylethylcarbamoyl)bicyclo[2.2.1]heptane-1-carboxylic acid

4-(2-quinolin-3-ylethylcarbamoyl)bicyclo[2.2.1]heptane-1-carboxylic acid (PubChem CID 146133231) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-(2-quinolin-3-ylethylcarbamoyl)bicyclo[2.2.1]heptane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-quinolin-3-ylethylcarbamoyl)bicyclo[2.2.1]heptane-1-carboxylic acid
PubChem CID146133231
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name4-(2-quinolin-3-ylethylcarbamoyl)bicyclo[2.2.1]heptane-1-carboxylic acid
SMILESO=C(O)C12CCC(C(=O)NCCc3cnc4ccccc4c3)(CC1)C2
InChIInChI=1S/C20H22N2O3/c23-17(19-6-8-20(13-19,9-7-19)18(24)25)21-10-5-14-11-15-3-1-2-4-16(15)22-12-14/h1-4,11-12H,5-10,13H2,(H,21,23)(H,24,25)
InChIKeyGCRNPLOEFUMDFC-UHFFFAOYSA-N
XLogP2.93
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2-quinolin-3-ylethylcarbamoyl)bicyclo[2.2.1]heptane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-quinolin-3-ylethylcarbamoyl)bicyclo[2.2.1]heptane-1-carboxylic acid?
The IUPAC name of 4-(2-quinolin-3-ylethylcarbamoyl)bicyclo[2.2.1]heptane-1-carboxylic acid (CID 146133231) is 4-(2-quinolin-3-ylethylcarbamoyl)bicyclo[2.2.1]heptane-1-carboxylic acid.
What is the SMILES notation for 4-(2-quinolin-3-ylethylcarbamoyl)bicyclo[2.2.1]heptane-1-carboxylic acid?
The canonical SMILES for 4-(2-quinolin-3-ylethylcarbamoyl)bicyclo[2.2.1]heptane-1-carboxylic acid is O=C(O)C12CCC(C(=O)NCCc3cnc4ccccc4c3)(CC1)C2.
What is the InChIKey of 4-(2-quinolin-3-ylethylcarbamoyl)bicyclo[2.2.1]heptane-1-carboxylic acid?
The InChIKey is GCRNPLOEFUMDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-17(19-6-8-20(13-19,9-7-19)18(24)25)21-10-5-14-11-15-3-1-2-4-16(15)22-12-14/h1-4,11-12H,5-10,13H2,(H,21,23)(H,24,25).
What are the key properties of 4-(2-quinolin-3-ylethylcarbamoyl)bicyclo[2.2.1]heptane-1-carboxylic acid?
4-(2-quinolin-3-ylethylcarbamoyl)bicyclo[2.2.1]heptane-1-carboxylic acid has a molecular weight of 338.41 g/mol, XLogP of 2.93, 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-ylethylcarbamoyl)bicyclo[2.2.1]heptane-1-carboxylic acid is sourced from PubChem (CID 146133231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).