N-(5-methylhexan-2-yl)quinoline-2-carboxamide

C17H22N2O — CID 24554913

IUPACN-(5-methylhexan-2-yl)quinoline-2-carboxamide
SMILESCC(C)CCC(C)NC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C17H22N2O/c1-12(2)8-9-13(3)18-17(20)16-11-10-14-6-4-5-7-15(14)19-16/h4-7,10-13H,8-9H2,1-3H3,(H,18,20)
InChIKeyMSXUZRWUUGAZAN-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.79
Rot. Bonds5

About N-(5-methylhexan-2-yl)quinoline-2-carboxamide

N-(5-methylhexan-2-yl)quinoline-2-carboxamide (PubChem CID 24554913) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(5-methylhexan-2-yl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(5-methylhexan-2-yl)quinoline-2-carboxamide
PubChem CID24554913
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-(5-methylhexan-2-yl)quinoline-2-carboxamide
SMILESCC(C)CCC(C)NC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C17H22N2O/c1-12(2)8-9-13(3)18-17(20)16-11-10-14-6-4-5-7-15(14)19-16/h4-7,10-13H,8-9H2,1-3H3,(H,18,20)
InChIKeyMSXUZRWUUGAZAN-UHFFFAOYSA-N
XLogP3.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-heptan-2-ylquinoline-2-carboxamide
CID 46571103
N-(1-amino-4-methylpentan-2-yl)quinoline-2-carboxamide
CID 63754723
(2S)-2-(quinoline-2-carbonylamino)pentanoic acid
CID 107564261
3-methyl-2-(quinoline-2-carbonylamino)pentanoic acid
CID 16795877
N-[(1S)-1-pyridin-4-ylethyl]quinoline-2-carboxamide
CID 30479872
N-(1-chloro-4,4-dimethylpentan-3-yl)quinoline-2-carboxamide
CID 106355670
N-[(1S)-1-(furan-2-yl)ethyl]quinoline-2-carboxamide
CID 9481673
N-[(2S)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]quinoline-2-carboxamide
CID 88968167
N-[4-methylsulfanyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]quinoline-2-carboxamide
CID 51098462
N-(2-methoxyethoxy)quinoline-2-carboxamide
CID 79676009
N-(4-chloro-2-methylbutyl)quinoline-2-carboxamide
CID 114306159
N-[4-(3-methylbutanoylamino)phenyl]quinoline-2-carboxamide
CID 33027080

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexan-2-yl)quinoline-2-carboxamide?
The IUPAC name of N-(5-methylhexan-2-yl)quinoline-2-carboxamide (CID 24554913) is N-(5-methylhexan-2-yl)quinoline-2-carboxamide.
What is the SMILES notation for N-(5-methylhexan-2-yl)quinoline-2-carboxamide?
The canonical SMILES for N-(5-methylhexan-2-yl)quinoline-2-carboxamide is CC(C)CCC(C)NC(=O)c1ccc2ccccc2n1.
What is the InChIKey of N-(5-methylhexan-2-yl)quinoline-2-carboxamide?
The InChIKey is MSXUZRWUUGAZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12(2)8-9-13(3)18-17(20)16-11-10-14-6-4-5-7-15(14)19-16/h4-7,10-13H,8-9H2,1-3H3,(H,18,20).
What are the key properties of N-(5-methylhexan-2-yl)quinoline-2-carboxamide?
N-(5-methylhexan-2-yl)quinoline-2-carboxamide has a molecular weight of 270.38 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexan-2-yl)quinoline-2-carboxamide is sourced from PubChem (CID 24554913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).