6-amino-2-(4-ethoxycarbonylpiperidin-1-yl)quinoline-4-carboxylic acid

C18H21N3O4 — CID 50806111

IUPAC6-amino-2-(4-ethoxycarbonylpiperidin-1-yl)quinoline-4-carboxylic acid
SMILESCCOC(=O)C1CCN(c2cc(C(=O)O)c3cc(N)ccc3n2)CC1
InChIInChI=1S/C18H21N3O4/c1-2-25-18(24)11-5-7-21(8-6-11)16-10-14(17(22)23)13-9-12(19)3-4-15(13)20-16/h3-4,9-11H,2,5-8,19H2,1H3,(H,22,23)
InChIKeyDLMZPWQUQOCPFB-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.29
Rot. Bonds4

About 6-amino-2-(4-ethoxycarbonylpiperidin-1-yl)quinoline-4-carboxylic acid

6-amino-2-(4-ethoxycarbonylpiperidin-1-yl)quinoline-4-carboxylic acid (PubChem CID 50806111) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 6-amino-2-(4-ethoxycarbonylpiperidin-1-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-amino-2-(4-ethoxycarbonylpiperidin-1-yl)quinoline-4-carboxylic acid
PubChem CID50806111
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name6-amino-2-(4-ethoxycarbonylpiperidin-1-yl)quinoline-4-carboxylic acid
SMILESCCOC(=O)C1CCN(c2cc(C(=O)O)c3cc(N)ccc3n2)CC1
InChIInChI=1S/C18H21N3O4/c1-2-25-18(24)11-5-7-21(8-6-11)16-10-14(17(22)23)13-9-12(19)3-4-15(13)20-16/h3-4,9-11H,2,5-8,19H2,1H3,(H,22,23)
InChIKeyDLMZPWQUQOCPFB-UHFFFAOYSA-N
XLogP2.29
TPSA105.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-amino-2-(4-ethoxycarbonylpiperidin-1-yl)quinoline-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-(6-methoxy-4-methylquinolin-2-yl)piperidine-4-carboxylate
CID 2852074
ethyl 1-(4-amino-2-pyridinyl)piperidine-4-carboxylate
CID 68568819
2,6-dichloroquinolin-5-amine;ethyl 1-(5-amino-6-chloroquinolin-2-yl)piperidine-4-carboxylate
CID 158633521
ethyl 1-(6-methoxyquinolin-2-yl)piperidine-4-carboxylate
CID 141431671
ethyl 1-(3-aminophenyl)piperidine-4-carboxylate
CID 22060555
ethyl 1-(6-ethoxy-2-methylpyrimidin-4-yl)piperidine-4-carboxylate
CID 66334132
6-chloro-2-(4-ethoxycarbonylpiperidin-1-yl)quinoline-5-carboxylic acid;2,6-dichloroquinoline-5-carboxylic acid
CID 160563241
ethyl 1-(6-pyridin-4-ylquinolin-2-yl)piperidine-4-carboxylate;hydrochloride
CID 156801017
ethyl 1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylate
CID 115612188
ethyl 1-(4-amino-2-cyanophenyl)piperidine-4-carboxylate
CID 22227900
ethyl 1-(2,4-diaminobenzoyl)piperidine-4-carboxylate
CID 61116886
ethyl 1-(5-chloro-6-methyl-2-pyridinyl)piperidine-4-carboxylate
CID 170716467

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(4-ethoxycarbonylpiperidin-1-yl)quinoline-4-carboxylic acid?
The IUPAC name of 6-amino-2-(4-ethoxycarbonylpiperidin-1-yl)quinoline-4-carboxylic acid (CID 50806111) is 6-amino-2-(4-ethoxycarbonylpiperidin-1-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-amino-2-(4-ethoxycarbonylpiperidin-1-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-amino-2-(4-ethoxycarbonylpiperidin-1-yl)quinoline-4-carboxylic acid is CCOC(=O)C1CCN(c2cc(C(=O)O)c3cc(N)ccc3n2)CC1.
What is the InChIKey of 6-amino-2-(4-ethoxycarbonylpiperidin-1-yl)quinoline-4-carboxylic acid?
The InChIKey is DLMZPWQUQOCPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-2-25-18(24)11-5-7-21(8-6-11)16-10-14(17(22)23)13-9-12(19)3-4-15(13)20-16/h3-4,9-11H,2,5-8,19H2,1H3,(H,22,23).
What are the key properties of 6-amino-2-(4-ethoxycarbonylpiperidin-1-yl)quinoline-4-carboxylic acid?
6-amino-2-(4-ethoxycarbonylpiperidin-1-yl)quinoline-4-carboxylic acid has a molecular weight of 343.38 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(4-ethoxycarbonylpiperidin-1-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 50806111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).