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

C15H23N3O — CID 55127025

IUPACN-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESCN(C)CCCNC(=O)c1cccc2c1CCCN2
InChIInChI=1S/C15H23N3O/c1-18(2)11-5-10-17-15(19)13-6-3-8-14-12(13)7-4-9-16-14/h3,6,8,16H,4-5,7,9-11H2,1-2H3,(H,17,19)
InChIKeyYQAMUFHAIBGARL-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.73
Rot. Bonds5

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

N-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide (PubChem CID 55127025) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
PubChem CID55127025
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESCN(C)CCCNC(=O)c1cccc2c1CCCN2
InChIInChI=1S/C15H23N3O/c1-18(2)11-5-10-17-15(19)13-6-3-8-14-12(13)7-4-9-16-14/h3,6,8,16H,4-5,7,9-11H2,1-2H3,(H,17,19)
InChIKeyYQAMUFHAIBGARL-UHFFFAOYSA-N
XLogP1.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.73
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-[4-(dimethylamino)butyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850086
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-methoxyethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62849698
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-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 63244251
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 104954746
N-butyl-N-ethyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55126978

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide (CID 55127025) is N-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide is CN(C)CCCNC(=O)c1cccc2c1CCCN2.
What is the InChIKey of N-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The InChIKey is YQAMUFHAIBGARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-18(2)11-5-10-17-15(19)13-6-3-8-14-12(13)7-4-9-16-14/h3,6,8,16H,4-5,7,9-11H2,1-2H3,(H,17,19).
What are the key properties of N-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
N-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide is sourced from PubChem (CID 55127025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).