1-(3-cyano-6-methylquinolin-4-yl)-5-methylpiperidine-3-carboxylic acid

C18H19N3O2 — CID 122106466

IUPAC1-(3-cyano-6-methylquinolin-4-yl)-5-methylpiperidine-3-carboxylic acid
SMILESCc1ccc2ncc(C#N)c(N3CC(C)CC(C(=O)O)C3)c2c1
InChIInChI=1S/C18H19N3O2/c1-11-3-4-16-15(6-11)17(14(7-19)8-20-16)21-9-12(2)5-13(10-21)18(22)23/h3-4,6,8,12-13H,5,9-10H2,1-2H3,(H,22,23)
InChIKeyGPAMTMKTLLGMKS-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.96
Rot. Bonds2

About 1-(3-cyano-6-methylquinolin-4-yl)-5-methylpiperidine-3-carboxylic acid

1-(3-cyano-6-methylquinolin-4-yl)-5-methylpiperidine-3-carboxylic acid (PubChem CID 122106466) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-(3-cyano-6-methylquinolin-4-yl)-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-cyano-6-methylquinolin-4-yl)-5-methylpiperidine-3-carboxylic acid
PubChem CID122106466
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name1-(3-cyano-6-methylquinolin-4-yl)-5-methylpiperidine-3-carboxylic acid
SMILESCc1ccc2ncc(C#N)c(N3CC(C)CC(C(=O)O)C3)c2c1
InChIInChI=1S/C18H19N3O2/c1-11-3-4-16-15(6-11)17(14(7-19)8-20-16)21-9-12(2)5-13(10-21)18(22)23/h3-4,6,8,12-13H,5,9-10H2,1-2H3,(H,22,23)
InChIKeyGPAMTMKTLLGMKS-UHFFFAOYSA-N
XLogP2.96
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyano-6-methylquinolin-4-yl)-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(3-cyano-6-methylquinolin-4-yl)-5-methylpiperidine-3-carboxylic acid (CID 122106466) is 1-(3-cyano-6-methylquinolin-4-yl)-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-cyano-6-methylquinolin-4-yl)-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(3-cyano-6-methylquinolin-4-yl)-5-methylpiperidine-3-carboxylic acid is Cc1ccc2ncc(C#N)c(N3CC(C)CC(C(=O)O)C3)c2c1.
What is the InChIKey of 1-(3-cyano-6-methylquinolin-4-yl)-5-methylpiperidine-3-carboxylic acid?
The InChIKey is GPAMTMKTLLGMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-11-3-4-16-15(6-11)17(14(7-19)8-20-16)21-9-12(2)5-13(10-21)18(22)23/h3-4,6,8,12-13H,5,9-10H2,1-2H3,(H,22,23).
What are the key properties of 1-(3-cyano-6-methylquinolin-4-yl)-5-methylpiperidine-3-carboxylic acid?
1-(3-cyano-6-methylquinolin-4-yl)-5-methylpiperidine-3-carboxylic acid has a molecular weight of 309.37 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyano-6-methylquinolin-4-yl)-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122106466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).