N-pentyl-1,2,3,4-tetrahydroquinoline-5-carboxamide

C15H22N2O — CID 62850400

IUPACN-pentyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESCCCCCNC(=O)c1cccc2c1CCCN2
InChIInChI=1S/C15H22N2O/c1-2-3-4-10-17-15(18)13-7-5-9-14-12(13)8-6-11-16-14/h5,7,9,16H,2-4,6,8,10-11H2,1H3,(H,17,18)
InChIKeyOGBKQZLTANHSKJ-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.96
Rot. Bonds5

About N-pentyl-1,2,3,4-tetrahydroquinoline-5-carboxamide

N-pentyl-1,2,3,4-tetrahydroquinoline-5-carboxamide (PubChem CID 62850400) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-pentyl-1,2,3,4-tetrahydroquinoline-5-carboxamide.

Molecular Properties

Compound NameN-pentyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
PubChem CID62850400
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-pentyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESCCCCCNC(=O)c1cccc2c1CCCN2
InChIInChI=1S/C15H22N2O/c1-2-3-4-10-17-15(18)13-7-5-9-14-12(13)8-6-11-16-14/h5,7,9,16H,2-4,6,8,10-11H2,1H3,(H,17,18)
InChIKeyOGBKQZLTANHSKJ-UHFFFAOYSA-N
XLogP2.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55127025
N-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62849698
N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850406
N-heptan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62849365
1-(1,2,3,4-tetrahydroquinolin-5-yl)hexan-1-one
CID 116610457
N-[2-(methylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 106336780
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
N-butyl-N-ethyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55126978
N-butan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55127073
N-butyl-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 62213109

Frequently Asked Questions

What is the IUPAC name of N-pentyl-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The IUPAC name of N-pentyl-1,2,3,4-tetrahydroquinoline-5-carboxamide (CID 62850400) is N-pentyl-1,2,3,4-tetrahydroquinoline-5-carboxamide.
What is the SMILES notation for N-pentyl-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The canonical SMILES for N-pentyl-1,2,3,4-tetrahydroquinoline-5-carboxamide is CCCCCNC(=O)c1cccc2c1CCCN2.
What is the InChIKey of N-pentyl-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The InChIKey is OGBKQZLTANHSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-3-4-10-17-15(18)13-7-5-9-14-12(13)8-6-11-16-14/h5,7,9,16H,2-4,6,8,10-11H2,1H3,(H,17,18).
What are the key properties of N-pentyl-1,2,3,4-tetrahydroquinoline-5-carboxamide?
N-pentyl-1,2,3,4-tetrahydroquinoline-5-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-1,2,3,4-tetrahydroquinoline-5-carboxamide is sourced from PubChem (CID 62850400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).