cis-(1R,3S)-5-(quinolin-3-ylmethylcarbamoyl)cyclohexane-1,3-dicarboxylic acid

C19H20N2O5 — CID 167873858

IUPACcis-(1R,3S)-5-(quinolin-3-ylmethylcarbamoyl)cyclohexane-1,3-dicarboxylic acid
SMILESO=C(NCc1cnc2ccccc2c1)C1C[C@@H](C(=O)O)C[C@@H](C(=O)O)C1
InChIInChI=1S/C19H20N2O5/c22-17(13-6-14(18(23)24)8-15(7-13)19(25)26)21-10-11-5-12-3-1-2-4-16(12)20-9-11/h1-5,9,13-15H,6-8,10H2,(H,21,22)(H,23,24)(H,25,26)/t13?,14-,15+
InChIKeyYKCLMYZGKHTJBL-GOOCMWNKSA-N
MW356.38 g/mol
LogP2.05
Rot. Bonds5

About cis-(1R,3S)-5-(quinolin-3-ylmethylcarbamoyl)cyclohexane-1,3-dicarboxylic acid

cis-(1R,3S)-5-(quinolin-3-ylmethylcarbamoyl)cyclohexane-1,3-dicarboxylic acid (PubChem CID 167873858) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is cis-(1R,3S)-5-(quinolin-3-ylmethylcarbamoyl)cyclohexane-1,3-dicarboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-5-(quinolin-3-ylmethylcarbamoyl)cyclohexane-1,3-dicarboxylic acid
PubChem CID167873858
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Namecis-(1R,3S)-5-(quinolin-3-ylmethylcarbamoyl)cyclohexane-1,3-dicarboxylic acid
SMILESO=C(NCc1cnc2ccccc2c1)C1C[C@@H](C(=O)O)C[C@@H](C(=O)O)C1
InChIInChI=1S/C19H20N2O5/c22-17(13-6-14(18(23)24)8-15(7-13)19(25)26)21-10-11-5-12-3-1-2-4-16(12)20-9-11/h1-5,9,13-15H,6-8,10H2,(H,21,22)(H,23,24)(H,25,26)/t13?,14-,15+
InChIKeyYKCLMYZGKHTJBL-GOOCMWNKSA-N
XLogP2.05
TPSA116.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze cis-(1R,3S)-5-(quinolin-3-ylmethylcarbamoyl)cyclohexane-1,3-dicarboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

N-(quinolin-3-ylmethyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119855878
2-methyl-N-(quinolin-3-ylmethyl)propanamide
CID 110733747
4-(2-quinolin-3-ylethylamino)cyclohexane-1-carboxylic acid
CID 167889183
1-(quinolin-3-ylmethylamino)cyclopropane-1-carboxylic acid
CID 114203535
2-ethyl-N-(quinolin-3-ylmethyl)butanamide
CID 110733756
2-(2-fluorophenyl)-N-(quinolin-3-ylmethyl)acetamide
CID 110733805
3-hydroxy-N-(quinolin-3-ylmethyl)benzamide
CID 110472397
N-(quinolin-3-ylmethyl)ethanamine
CID 16640553
N-(quinolin-3-ylmethyl)aniline
CID 12573835
1-methyl-1-(oxan-4-yl)-3-(quinolin-3-ylmethyl)urea
CID 119064073
2-(3-methylphenyl)-N-(quinolin-3-ylmethyl)acetamide
CID 110733803
3-[(sulfinatoamino)methyl]quinoline
CID 67383747

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-5-(quinolin-3-ylmethylcarbamoyl)cyclohexane-1,3-dicarboxylic acid?
The IUPAC name of cis-(1R,3S)-5-(quinolin-3-ylmethylcarbamoyl)cyclohexane-1,3-dicarboxylic acid (CID 167873858) is cis-(1R,3S)-5-(quinolin-3-ylmethylcarbamoyl)cyclohexane-1,3-dicarboxylic acid.
What is the SMILES notation for cis-(1R,3S)-5-(quinolin-3-ylmethylcarbamoyl)cyclohexane-1,3-dicarboxylic acid?
The canonical SMILES for cis-(1R,3S)-5-(quinolin-3-ylmethylcarbamoyl)cyclohexane-1,3-dicarboxylic acid is O=C(NCc1cnc2ccccc2c1)C1C[C@@H](C(=O)O)C[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-5-(quinolin-3-ylmethylcarbamoyl)cyclohexane-1,3-dicarboxylic acid?
The InChIKey is YKCLMYZGKHTJBL-GOOCMWNKSA-N. The full InChI is InChI=1S/C19H20N2O5/c22-17(13-6-14(18(23)24)8-15(7-13)19(25)26)21-10-11-5-12-3-1-2-4-16(12)20-9-11/h1-5,9,13-15H,6-8,10H2,(H,21,22)(H,23,24)(H,25,26)/t13?,14-,15+.
What are the key properties of cis-(1R,3S)-5-(quinolin-3-ylmethylcarbamoyl)cyclohexane-1,3-dicarboxylic acid?
cis-(1R,3S)-5-(quinolin-3-ylmethylcarbamoyl)cyclohexane-1,3-dicarboxylic acid has a molecular weight of 356.38 g/mol, XLogP of 2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-5-(quinolin-3-ylmethylcarbamoyl)cyclohexane-1,3-dicarboxylic acid is sourced from PubChem (CID 167873858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).