N-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide

C16H24N2O — CID 106328633

IUPACN-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
SMILESCCC(C)(CC)NC(=O)C1CCNc2ccccc21
InChIInChI=1S/C16H24N2O/c1-4-16(3,5-2)18-15(19)13-10-11-17-14-9-7-6-8-12(13)14/h6-9,13,17H,4-5,10-11H2,1-3H3,(H,18,19)
InChIKeyYQIRJFQMWITKCT-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.28
Rot. Bonds4

About N-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide

N-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide (PubChem CID 106328633) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
PubChem CID106328633
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
SMILESCCC(C)(CC)NC(=O)C1CCNc2ccccc21
InChIInChI=1S/C16H24N2O/c1-4-16(3,5-2)18-15(19)13-10-11-17-14-9-7-6-8-12(13)14/h6-9,13,17H,4-5,10-11H2,1-3H3,(H,18,19)
InChIKeyYQIRJFQMWITKCT-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 106329302
N-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565156
N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-4-carbohydrazide
CID 83022374
N-(4-hydroxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 106147953
N-(3-methyl-2-propan-2-ylbutyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 102905910
tert-butyl (4S)-1,2,3,4-tetrahydroquinoline-4-carboxylate
CID 124603961
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,3-dihydro-1H-indole-3-carboxamide
CID 107865742
2-methyl-1-(1,2,3,4-tetrahydroquinolin-4-yl)pentan-1-one
CID 107890284
N-[2-(2-hydroxyethyl)pentyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 106116712
2-(4-ethylphenyl)-1-(1,2,3,4-tetrahydroquinolin-4-yl)ethanone
CID 116598165
N-(2-methyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 82726090
N-(5-propyl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 104618202

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The IUPAC name of N-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide (CID 106328633) is N-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide.
What is the SMILES notation for N-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The canonical SMILES for N-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide is CCC(C)(CC)NC(=O)C1CCNc2ccccc21.
What is the InChIKey of N-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The InChIKey is YQIRJFQMWITKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-16(3,5-2)18-15(19)13-10-11-17-14-9-7-6-8-12(13)14/h6-9,13,17H,4-5,10-11H2,1-3H3,(H,18,19).
What are the key properties of N-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide?
N-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide is sourced from PubChem (CID 106328633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).