N-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide

C13H18N2O2 — CID 62849698

IUPACN-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESCOCCNC(=O)c1cccc2c1CCCN2
InChIInChI=1S/C13H18N2O2/c1-17-9-8-15-13(16)11-4-2-6-12-10(11)5-3-7-14-12/h2,4,6,14H,3,5,7-9H2,1H3,(H,15,16)
InChIKeyXFEGCJQBBQZMPN-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.42
Rot. Bonds4

About N-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide

N-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide (PubChem CID 62849698) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
PubChem CID62849698
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESCOCCNC(=O)c1cccc2c1CCCN2
InChIInChI=1S/C13H18N2O2/c1-17-9-8-15-13(16)11-4-2-6-12-10(11)5-3-7-14-12/h2,4,6,14H,3,5,7-9H2,1H3,(H,15,16)
InChIKeyXFEGCJQBBQZMPN-UHFFFAOYSA-N
XLogP1.42
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850406
N-pentyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850400
N-[2-(methylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 106336780
N-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55127025
N-[4-(dimethylamino)butyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850086
N-(2-methoxyethyl)-2-(1,2,3,4-tetrahydroquinolin-5-yloxy)acetamide
CID 103044980
N-ethyl-N-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55126597
N-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 63244251
N-(2,2-difluoroethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 113303798
3-methoxy-4-(1,2,3,4-tetrahydroquinoline-5-carbonylamino)butanoic acid
CID 103157004
N-butan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55127073
N-[[1-(dimethylamino)cyclobutyl]methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 105417100

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide (CID 62849698) is N-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide is COCCNC(=O)c1cccc2c1CCCN2.
What is the InChIKey of N-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The InChIKey is XFEGCJQBBQZMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-17-9-8-15-13(16)11-4-2-6-12-10(11)5-3-7-14-12/h2,4,6,14H,3,5,7-9H2,1H3,(H,15,16).
What are the key properties of N-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide?
N-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide is sourced from PubChem (CID 62849698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).