N-(2,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline-8-carboxamide

C16H24N2O — CID 64599539

IUPACN-(2,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
SMILESCC(C)C(C)CNC(=O)c1cccc2c1NCCC2
InChIInChI=1S/C16H24N2O/c1-11(2)12(3)10-18-16(19)14-8-4-6-13-7-5-9-17-15(13)14/h4,6,8,11-12,17H,5,7,9-10H2,1-3H3,(H,18,19)
InChIKeyWJQAXAWAWOFXBB-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.07
Rot. Bonds4

About N-(2,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline-8-carboxamide

N-(2,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline-8-carboxamide (PubChem CID 64599539) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(2,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline-8-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
PubChem CID64599539
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-(2,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
SMILESCC(C)C(C)CNC(=O)c1cccc2c1NCCC2
InChIInChI=1S/C16H24N2O/c1-11(2)12(3)10-18-16(19)14-8-4-6-13-7-5-9-17-15(13)14/h4,6,8,11-12,17H,5,7,9-10H2,1-3H3,(H,18,19)
InChIKeyWJQAXAWAWOFXBB-UHFFFAOYSA-N
XLogP3.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethylhexyl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 107815415
N-butyl-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 62213109
N-methyl-1,2,3,4-tetrahydroquinoline-8-carboxamide;hydrochloride
CID 146675579
N-[2-(3-methylbutoxy)ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 62215094
N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 65041181
N-[2-(cyclopropylamino)-2-oxoethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 62212757
2,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butan-1-amine
CID 80649952
N-propan-2-yl-N-propyl-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 55047703
N-(1-pyrazol-1-ylpropan-2-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 62213653
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 63330077
N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 125157866
N-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 62214552

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The IUPAC name of N-(2,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline-8-carboxamide (CID 64599539) is N-(2,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline-8-carboxamide.
What is the SMILES notation for N-(2,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The canonical SMILES for N-(2,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline-8-carboxamide is CC(C)C(C)CNC(=O)c1cccc2c1NCCC2.
What is the InChIKey of N-(2,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The InChIKey is WJQAXAWAWOFXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11(2)12(3)10-18-16(19)14-8-4-6-13-7-5-9-17-15(13)14/h4,6,8,11-12,17H,5,7,9-10H2,1-3H3,(H,18,19).
What are the key properties of N-(2,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline-8-carboxamide?
N-(2,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline-8-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline-8-carboxamide is sourced from PubChem (CID 64599539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).