1-(8-methoxy-3-methylquinolin-4-yl)-5-methylpiperidine-3-carboxylic acid

C18H22N2O3 — CID 122106571

IUPAC1-(8-methoxy-3-methylquinolin-4-yl)-5-methylpiperidine-3-carboxylic acid
SMILESCOc1cccc2c(N3CC(C)CC(C(=O)O)C3)c(C)cnc12
InChIInChI=1S/C18H22N2O3/c1-11-7-13(18(21)22)10-20(9-11)17-12(2)8-19-16-14(17)5-4-6-15(16)23-3/h4-6,8,11,13H,7,9-10H2,1-3H3,(H,21,22)
InChIKeyHKRZTGXJEDJXCK-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.10
Rot. Bonds3

About 1-(8-methoxy-3-methylquinolin-4-yl)-5-methylpiperidine-3-carboxylic acid

1-(8-methoxy-3-methylquinolin-4-yl)-5-methylpiperidine-3-carboxylic acid (PubChem CID 122106571) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-(8-methoxy-3-methylquinolin-4-yl)-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(8-methoxy-3-methylquinolin-4-yl)-5-methylpiperidine-3-carboxylic acid
PubChem CID122106571
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name1-(8-methoxy-3-methylquinolin-4-yl)-5-methylpiperidine-3-carboxylic acid
SMILESCOc1cccc2c(N3CC(C)CC(C(=O)O)C3)c(C)cnc12
InChIInChI=1S/C18H22N2O3/c1-11-7-13(18(21)22)10-20(9-11)17-12(2)8-19-16-14(17)5-4-6-15(16)23-3/h4-6,8,11,13H,7,9-10H2,1-3H3,(H,21,22)
InChIKeyHKRZTGXJEDJXCK-UHFFFAOYSA-N
XLogP3.10
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(8-methoxy-3-methylquinolin-4-yl)-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(8-methoxy-3-methylquinolin-4-yl)-5-methylpiperidine-3-carboxylic acid (CID 122106571) is 1-(8-methoxy-3-methylquinolin-4-yl)-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(8-methoxy-3-methylquinolin-4-yl)-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(8-methoxy-3-methylquinolin-4-yl)-5-methylpiperidine-3-carboxylic acid is COc1cccc2c(N3CC(C)CC(C(=O)O)C3)c(C)cnc12.
What is the InChIKey of 1-(8-methoxy-3-methylquinolin-4-yl)-5-methylpiperidine-3-carboxylic acid?
The InChIKey is HKRZTGXJEDJXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-11-7-13(18(21)22)10-20(9-11)17-12(2)8-19-16-14(17)5-4-6-15(16)23-3/h4-6,8,11,13H,7,9-10H2,1-3H3,(H,21,22).
What are the key properties of 1-(8-methoxy-3-methylquinolin-4-yl)-5-methylpiperidine-3-carboxylic acid?
1-(8-methoxy-3-methylquinolin-4-yl)-5-methylpiperidine-3-carboxylic acid has a molecular weight of 314.39 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methoxy-3-methylquinolin-4-yl)-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122106571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).