N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide

C14H21N3O — CID 62850406

IUPACN-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESCN(C)CCNC(=O)c1cccc2c1CCCN2
InChIInChI=1S/C14H21N3O/c1-17(2)10-9-16-14(18)12-5-3-7-13-11(12)6-4-8-15-13/h3,5,7,15H,4,6,8-10H2,1-2H3,(H,16,18)
InChIKeyXIFYXWZPZAAHEX-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.34
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide

N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide (PubChem CID 62850406) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
PubChem CID62850406
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESCN(C)CCNC(=O)c1cccc2c1CCCN2
InChIInChI=1S/C14H21N3O/c1-17(2)10-9-16-14(18)12-5-3-7-13-11(12)6-4-8-15-13/h3,5,7,15H,4,6,8-10H2,1-2H3,(H,16,18)
InChIKeyXIFYXWZPZAAHEX-UHFFFAOYSA-N
XLogP1.34
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62849698
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-[[1-(dimethylamino)cyclobutyl]methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 105417100
N-(2-hydroxyethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850061
N-(2,2-difluoroethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 113303798
N-methyl-N-propyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62848998
N-[2-(dimethylamino)ethyl]-2-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
CID 70978428
N-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 63244251
N-[(1-cyclopropylcyclopropyl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 104954916

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide (CID 62850406) is N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide is CN(C)CCNC(=O)c1cccc2c1CCCN2.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The InChIKey is XIFYXWZPZAAHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-17(2)10-9-16-14(18)12-5-3-7-13-11(12)6-4-8-15-13/h3,5,7,15H,4,6,8-10H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide is sourced from PubChem (CID 62850406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).