6-methyl-2-(4-methylphenyl)-3-pyrrolidin-1-ylquinoline-4-carboxylic acid

C22H22N2O2 — CID 16643746

IUPAC6-methyl-2-(4-methylphenyl)-3-pyrrolidin-1-ylquinoline-4-carboxylic acid
SMILESCc1ccc(-c2nc3ccc(C)cc3c(C(=O)O)c2N2CCCC2)cc1
InChIInChI=1S/C22H22N2O2/c1-14-5-8-16(9-6-14)20-21(24-11-3-4-12-24)19(22(25)26)17-13-15(2)7-10-18(17)23-20/h5-10,13H,3-4,11-12H2,1-2H3,(H,25,26)
InChIKeyDJEUHNSYBAQNJD-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.82
Rot. Bonds3

About 6-methyl-2-(4-methylphenyl)-3-pyrrolidin-1-ylquinoline-4-carboxylic acid

6-methyl-2-(4-methylphenyl)-3-pyrrolidin-1-ylquinoline-4-carboxylic acid (PubChem CID 16643746) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 6-methyl-2-(4-methylphenyl)-3-pyrrolidin-1-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-(4-methylphenyl)-3-pyrrolidin-1-ylquinoline-4-carboxylic acid
PubChem CID16643746
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name6-methyl-2-(4-methylphenyl)-3-pyrrolidin-1-ylquinoline-4-carboxylic acid
SMILESCc1ccc(-c2nc3ccc(C)cc3c(C(=O)O)c2N2CCCC2)cc1
InChIInChI=1S/C22H22N2O2/c1-14-5-8-16(9-6-14)20-21(24-11-3-4-12-24)19(22(25)26)17-13-15(2)7-10-18(17)23-20/h5-10,13H,3-4,11-12H2,1-2H3,(H,25,26)
InChIKeyDJEUHNSYBAQNJD-UHFFFAOYSA-N
XLogP4.82
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-methylphenyl)-3-pyrrolidin-1-ylquinoline-4-carboxylic acid?
The IUPAC name of 6-methyl-2-(4-methylphenyl)-3-pyrrolidin-1-ylquinoline-4-carboxylic acid (CID 16643746) is 6-methyl-2-(4-methylphenyl)-3-pyrrolidin-1-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 6-methyl-2-(4-methylphenyl)-3-pyrrolidin-1-ylquinoline-4-carboxylic acid?
The canonical SMILES for 6-methyl-2-(4-methylphenyl)-3-pyrrolidin-1-ylquinoline-4-carboxylic acid is Cc1ccc(-c2nc3ccc(C)cc3c(C(=O)O)c2N2CCCC2)cc1.
What is the InChIKey of 6-methyl-2-(4-methylphenyl)-3-pyrrolidin-1-ylquinoline-4-carboxylic acid?
The InChIKey is DJEUHNSYBAQNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-14-5-8-16(9-6-14)20-21(24-11-3-4-12-24)19(22(25)26)17-13-15(2)7-10-18(17)23-20/h5-10,13H,3-4,11-12H2,1-2H3,(H,25,26).
What are the key properties of 6-methyl-2-(4-methylphenyl)-3-pyrrolidin-1-ylquinoline-4-carboxylic acid?
6-methyl-2-(4-methylphenyl)-3-pyrrolidin-1-ylquinoline-4-carboxylic acid has a molecular weight of 346.43 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-methylphenyl)-3-pyrrolidin-1-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 16643746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).