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

C16H25N3O — CID 62850086

IUPACN-[4-(dimethylamino)butyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESCN(C)CCCCNC(=O)c1cccc2c1CCCN2
InChIInChI=1S/C16H25N3O/c1-19(2)12-4-3-10-18-16(20)14-7-5-9-15-13(14)8-6-11-17-15/h5,7,9,17H,3-4,6,8,10-12H2,1-2H3,(H,18,20)
InChIKeySVQPEQWOIJNLCY-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.12
Rot. Bonds6

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

N-[4-(dimethylamino)butyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide (PubChem CID 62850086) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[4-(dimethylamino)butyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)butyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
PubChem CID62850086
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[4-(dimethylamino)butyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESCN(C)CCCCNC(=O)c1cccc2c1CCCN2
InChIInChI=1S/C16H25N3O/c1-19(2)12-4-3-10-18-16(20)14-7-5-9-15-13(14)8-6-11-17-15/h5,7,9,17H,3-4,6,8,10-12H2,1-2H3,(H,18,20)
InChIKeySVQPEQWOIJNLCY-UHFFFAOYSA-N
XLogP2.12
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.12
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-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55127025
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-[4-(dimethylamino)butyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide
CID 104773857
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)butyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The IUPAC name of N-[4-(dimethylamino)butyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide (CID 62850086) is N-[4-(dimethylamino)butyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)butyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)butyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide is CN(C)CCCCNC(=O)c1cccc2c1CCCN2.
What is the InChIKey of N-[4-(dimethylamino)butyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The InChIKey is SVQPEQWOIJNLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-19(2)12-4-3-10-18-16(20)14-7-5-9-15-13(14)8-6-11-17-15/h5,7,9,17H,3-4,6,8,10-12H2,1-2H3,(H,18,20).
What are the key properties of N-[4-(dimethylamino)butyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
N-[4-(dimethylamino)butyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)butyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide is sourced from PubChem (CID 62850086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).