8-amino-N-(2-methoxyethyl)quinoline-2-carboxamide

C13H15N3O2 — CID 110487202

IUPAC8-amino-N-(2-methoxyethyl)quinoline-2-carboxamide
SMILESCOCCNC(=O)c1ccc2cccc(N)c2n1
InChIInChI=1S/C13H15N3O2/c1-18-8-7-15-13(17)11-6-5-9-3-2-4-10(14)12(9)16-11/h2-6H,7-8,14H2,1H3,(H,15,17)
InChIKeyJZYBROSDIHZSPO-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.19
Rot. Bonds4

About 8-amino-N-(2-methoxyethyl)quinoline-2-carboxamide

8-amino-N-(2-methoxyethyl)quinoline-2-carboxamide (PubChem CID 110487202) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 8-amino-N-(2-methoxyethyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name8-amino-N-(2-methoxyethyl)quinoline-2-carboxamide
PubChem CID110487202
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name8-amino-N-(2-methoxyethyl)quinoline-2-carboxamide
SMILESCOCCNC(=O)c1ccc2cccc(N)c2n1
InChIInChI=1S/C13H15N3O2/c1-18-8-7-15-13(17)11-6-5-9-3-2-4-10(14)12(9)16-11/h2-6H,7-8,14H2,1H3,(H,15,17)
InChIKeyJZYBROSDIHZSPO-UHFFFAOYSA-N
XLogP1.19
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-hydrazinyl-N-[2-(2-methoxyethoxy)ethyl]pyridine-2-carboxamide
CID 62237016
3-amino-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 104740778
6-amino-N-(4-methoxybutyl)pyridine-2-carboxamide
CID 62238827
8-(3-chlorophenyl)-N-(2-methoxyethyl)-1,6-naphthyridine-2-carboxamide
CID 75204375
8-amino-N-pyrimidin-4-ylquinoline-2-carboxamide
CID 110487208
N-(2,2-dimethoxyethyl)-8-fluoroquinoline-2-carboxamide
CID 110464548
8-(2-methoxyethyl)quinoline-2-carboxylic acid
CID 102941517
8-hydroxy-N-octadecylquinoline-2-carboxamide
CID 101042875
2-(8-aminoquinolin-2-yl)-N-ethylacetamide
CID 82547485
6-N-(4-fluorophenyl)-2-N-(2-methoxyethyl)pyridine-2,6-dicarboxamide
CID 109095740
8-fluoro-N-hexylquinoline-2-carboxamide
CID 110485324
2-(8-aminoquinolin-2-yl)-N-butylacetamide
CID 82547447

Frequently Asked Questions

What is the IUPAC name of 8-amino-N-(2-methoxyethyl)quinoline-2-carboxamide?
The IUPAC name of 8-amino-N-(2-methoxyethyl)quinoline-2-carboxamide (CID 110487202) is 8-amino-N-(2-methoxyethyl)quinoline-2-carboxamide.
What is the SMILES notation for 8-amino-N-(2-methoxyethyl)quinoline-2-carboxamide?
The canonical SMILES for 8-amino-N-(2-methoxyethyl)quinoline-2-carboxamide is COCCNC(=O)c1ccc2cccc(N)c2n1.
What is the InChIKey of 8-amino-N-(2-methoxyethyl)quinoline-2-carboxamide?
The InChIKey is JZYBROSDIHZSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-18-8-7-15-13(17)11-6-5-9-3-2-4-10(14)12(9)16-11/h2-6H,7-8,14H2,1H3,(H,15,17).
What are the key properties of 8-amino-N-(2-methoxyethyl)quinoline-2-carboxamide?
8-amino-N-(2-methoxyethyl)quinoline-2-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-N-(2-methoxyethyl)quinoline-2-carboxamide is sourced from PubChem (CID 110487202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).