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

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Related Compounds

4-amino-N-(2-quinolin-6-ylethyl)bicyclo[2.2.2]octane-1-carboxamide
CID 167842749
1-(quinolin-3-ylmethylamino)cyclopropane-1-carboxylic acid
CID 114203535
4-(2-quinolin-3-ylethylamino)cyclohexane-1-carboxylic acid
CID 167889183
N-[2-(4-fluorophenyl)ethyl]quinoline-3-carboxamide
CID 110694769
1-N,4-N-bis[2-(6-methyl-3-pyridinyl)ethyl]bicyclo[2.2.2]octane-1,4-dicarboxamide
CID 166234539
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-quinolin-3-ylethyl)propanamide
CID 136565853
2-quinolin-3-ylethanol
CID 53403774
2-methyl-N-(quinolin-3-ylmethyl)propanamide
CID 110733747
2-methyl-N-(2-quinolin-3-ylethyl)propan-1-amine
CID 62603664
2-ethyl-N-(quinolin-3-ylmethyl)butanamide
CID 110733756
cis-(1R,3S)-5-(quinolin-3-ylmethylcarbamoyl)cyclohexane-1,3-dicarboxylic acid
CID 167873858
3-(4-fluorophenyl)-N-(quinolin-3-ylmethyl)propanamide
CID 110733799

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).