2-(4-methoxyphenyl)-3-piperidin-1-ylquinoline-4-carboxylic acid

C22H22N2O3 — CID 16643828

IUPAC2-(4-methoxyphenyl)-3-piperidin-1-ylquinoline-4-carboxylic acid
SMILESCOc1ccc(-c2nc3ccccc3c(C(=O)O)c2N2CCCCC2)cc1
InChIInChI=1S/C22H22N2O3/c1-27-16-11-9-15(10-12-16)20-21(24-13-5-2-6-14-24)19(22(25)26)17-7-3-4-8-18(17)23-20/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,25,26)
InChIKeyXDQAHGSWRPOOBH-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.60
Rot. Bonds4

About 2-(4-methoxyphenyl)-3-piperidin-1-ylquinoline-4-carboxylic acid

2-(4-methoxyphenyl)-3-piperidin-1-ylquinoline-4-carboxylic acid (PubChem CID 16643828) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-piperidin-1-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-piperidin-1-ylquinoline-4-carboxylic acid
PubChem CID16643828
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name2-(4-methoxyphenyl)-3-piperidin-1-ylquinoline-4-carboxylic acid
SMILESCOc1ccc(-c2nc3ccccc3c(C(=O)O)c2N2CCCCC2)cc1
InChIInChI=1S/C22H22N2O3/c1-27-16-11-9-15(10-12-16)20-21(24-13-5-2-6-14-24)19(22(25)26)17-7-3-4-8-18(17)23-20/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,25,26)
InChIKeyXDQAHGSWRPOOBH-UHFFFAOYSA-N
XLogP4.60
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid
CID 16643832
2,3-bis(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 95560580
6-methyl-2-(4-methylphenyl)-3-pyrrolidin-1-ylquinoline-4-carboxylic acid
CID 16643746
2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinoline
CID 45051409
8-methyl-2-(4-methylphenyl)-3-pyrrolidin-1-ylquinoline-4-carboxylic acid
CID 16643755
N,N-dicyclohexyl-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 3348119
2-(4-methoxyphenyl)-3-methyl-N-propan-2-ylquinoline-4-carboxamide
CID 896971
[4-(azepan-1-yl)quinolin-3-yl]-(4-methoxyphenyl)methanone
CID 20882559
2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazoline
CID 731359
2-phenylquinoline-3,4-dicarboxylic acid
CID 71341092
3-hydroxy-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid
CID 14498175
5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxylic acid
CID 139598398

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-piperidin-1-ylquinoline-4-carboxylic acid?
The IUPAC name of 2-(4-methoxyphenyl)-3-piperidin-1-ylquinoline-4-carboxylic acid (CID 16643828) is 2-(4-methoxyphenyl)-3-piperidin-1-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-piperidin-1-ylquinoline-4-carboxylic acid?
The canonical SMILES for 2-(4-methoxyphenyl)-3-piperidin-1-ylquinoline-4-carboxylic acid is COc1ccc(-c2nc3ccccc3c(C(=O)O)c2N2CCCCC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-piperidin-1-ylquinoline-4-carboxylic acid?
The InChIKey is XDQAHGSWRPOOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-27-16-11-9-15(10-12-16)20-21(24-13-5-2-6-14-24)19(22(25)26)17-7-3-4-8-18(17)23-20/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,25,26).
What are the key properties of 2-(4-methoxyphenyl)-3-piperidin-1-ylquinoline-4-carboxylic acid?
2-(4-methoxyphenyl)-3-piperidin-1-ylquinoline-4-carboxylic acid has a molecular weight of 362.43 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-piperidin-1-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 16643828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).