3-[(2-methylphenyl)methyl]-1-quinolin-2-ylpiperidine-3-carboxylic acid

C23H24N2O2 — CID 56864831

IUPAC3-[(2-methylphenyl)methyl]-1-quinolin-2-ylpiperidine-3-carboxylic acid
SMILESCc1ccccc1CC1(C(=O)O)CCCN(c2ccc3ccccc3n2)C1
InChIInChI=1S/C23H24N2O2/c1-17-7-2-3-9-19(17)15-23(22(26)27)13-6-14-25(16-23)21-12-11-18-8-4-5-10-20(18)24-21/h2-5,7-12H,6,13-16H2,1H3,(H,26,27)
InChIKeyQWGKMBQXUBCKIS-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.46
Rot. Bonds4

About 3-[(2-methylphenyl)methyl]-1-quinolin-2-ylpiperidine-3-carboxylic acid

3-[(2-methylphenyl)methyl]-1-quinolin-2-ylpiperidine-3-carboxylic acid (PubChem CID 56864831) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-[(2-methylphenyl)methyl]-1-quinolin-2-ylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methylphenyl)methyl]-1-quinolin-2-ylpiperidine-3-carboxylic acid
PubChem CID56864831
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name3-[(2-methylphenyl)methyl]-1-quinolin-2-ylpiperidine-3-carboxylic acid
SMILESCc1ccccc1CC1(C(=O)O)CCCN(c2ccc3ccccc3n2)C1
InChIInChI=1S/C23H24N2O2/c1-17-7-2-3-9-19(17)15-23(22(26)27)13-6-14-25(16-23)21-12-11-18-8-4-5-10-20(18)24-21/h2-5,7-12H,6,13-16H2,1H3,(H,26,27)
InChIKeyQWGKMBQXUBCKIS-UHFFFAOYSA-N
XLogP4.46
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenyl)methyl]-1-quinolin-2-ylpiperidine-3-carboxylic acid?
The IUPAC name of 3-[(2-methylphenyl)methyl]-1-quinolin-2-ylpiperidine-3-carboxylic acid (CID 56864831) is 3-[(2-methylphenyl)methyl]-1-quinolin-2-ylpiperidine-3-carboxylic acid.
What is the SMILES notation for 3-[(2-methylphenyl)methyl]-1-quinolin-2-ylpiperidine-3-carboxylic acid?
The canonical SMILES for 3-[(2-methylphenyl)methyl]-1-quinolin-2-ylpiperidine-3-carboxylic acid is Cc1ccccc1CC1(C(=O)O)CCCN(c2ccc3ccccc3n2)C1.
What is the InChIKey of 3-[(2-methylphenyl)methyl]-1-quinolin-2-ylpiperidine-3-carboxylic acid?
The InChIKey is QWGKMBQXUBCKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-17-7-2-3-9-19(17)15-23(22(26)27)13-6-14-25(16-23)21-12-11-18-8-4-5-10-20(18)24-21/h2-5,7-12H,6,13-16H2,1H3,(H,26,27).
What are the key properties of 3-[(2-methylphenyl)methyl]-1-quinolin-2-ylpiperidine-3-carboxylic acid?
3-[(2-methylphenyl)methyl]-1-quinolin-2-ylpiperidine-3-carboxylic acid has a molecular weight of 360.46 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenyl)methyl]-1-quinolin-2-ylpiperidine-3-carboxylic acid is sourced from PubChem (CID 56864831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).