1-(6,7-dimethoxyquinolin-4-yl)piperidine-4-carboxylic acid

C17H20N2O4 — CID 155125461

IUPAC1-(6,7-dimethoxyquinolin-4-yl)piperidine-4-carboxylic acid
SMILESCOc1cc2nccc(N3CCC(C(=O)O)CC3)c2cc1OC
InChIInChI=1S/C17H20N2O4/c1-22-15-9-12-13(10-16(15)23-2)18-6-3-14(12)19-7-4-11(5-8-19)17(20)21/h3,6,9-11H,4-5,7-8H2,1-2H3,(H,20,21)
InChIKeyVHDFHTLSHGEVSQ-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.55
Rot. Bonds4

About 1-(6,7-dimethoxyquinolin-4-yl)piperidine-4-carboxylic acid

1-(6,7-dimethoxyquinolin-4-yl)piperidine-4-carboxylic acid (PubChem CID 155125461) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-(6,7-dimethoxyquinolin-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(6,7-dimethoxyquinolin-4-yl)piperidine-4-carboxylic acid
PubChem CID155125461
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name1-(6,7-dimethoxyquinolin-4-yl)piperidine-4-carboxylic acid
SMILESCOc1cc2nccc(N3CCC(C(=O)O)CC3)c2cc1OC
InChIInChI=1S/C17H20N2O4/c1-22-15-9-12-13(10-16(15)23-2)18-6-3-14(12)19-7-4-11(5-8-19)17(20)21/h3,6,9-11H,4-5,7-8H2,1-2H3,(H,20,21)
InChIKeyVHDFHTLSHGEVSQ-UHFFFAOYSA-N
XLogP2.55
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6,7-dimethoxy-4-(4-methoxypiperidin-1-yl)quinoline
CID 122152929
1-(6-chloroquinolin-4-yl)piperidine-4-carboxylic acid
CID 71563708
4-(6,7-dimethoxyquinolin-4-yl)-1,4-diazepane-1-carboxamide
CID 167970486
[1-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]cyclopropyl]methanamine
CID 155125344
N-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]ethyl]-2-oxopropane-1-sulfonamide
CID 162190437
butyl N-[[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]sulfamoyl]carbamate
CID 175688776
1-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]propyl]cyclopropan-1-amine
CID 175689164
2-[4-(6,7-dimethoxyquinolin-4-yl)piperazin-1-yl]propylsulfamoylcarbamic acid
CID 155125446
S-[cyclopropyl-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]propyl]amino]thiohydroxylamine
CID 155697816
2-[1-(6,7-dimethoxyquinolin-4-yl)azetidin-3-yl]ethanamine
CID 163275209
1-[[(3R)-1-(6,7-dimethoxyquinolin-4-yl)piperidin-3-yl]methyl]piperidin-2-one
CID 70313258
4-[4-[1-[cyclopropyl(sulfamoyl)amino]propan-2-yl]piperidin-1-yl]-6,7-dimethoxyquinoline;formic acid
CID 175192737

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dimethoxyquinolin-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(6,7-dimethoxyquinolin-4-yl)piperidine-4-carboxylic acid (CID 155125461) is 1-(6,7-dimethoxyquinolin-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(6,7-dimethoxyquinolin-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(6,7-dimethoxyquinolin-4-yl)piperidine-4-carboxylic acid is COc1cc2nccc(N3CCC(C(=O)O)CC3)c2cc1OC.
What is the InChIKey of 1-(6,7-dimethoxyquinolin-4-yl)piperidine-4-carboxylic acid?
The InChIKey is VHDFHTLSHGEVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-22-15-9-12-13(10-16(15)23-2)18-6-3-14(12)19-7-4-11(5-8-19)17(20)21/h3,6,9-11H,4-5,7-8H2,1-2H3,(H,20,21).
What are the key properties of 1-(6,7-dimethoxyquinolin-4-yl)piperidine-4-carboxylic acid?
1-(6,7-dimethoxyquinolin-4-yl)piperidine-4-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dimethoxyquinolin-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 155125461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).