2-methyl-N-(5-methylhexan-2-yl)quinoline-4-carboxamide

C18H24N2O — CID 4877911

IUPAC2-methyl-N-(5-methylhexan-2-yl)quinoline-4-carboxamide
SMILESCc1cc(C(=O)NC(C)CCC(C)C)c2ccccc2n1
InChIInChI=1S/C18H24N2O/c1-12(2)9-10-13(3)20-18(21)16-11-14(4)19-17-8-6-5-7-15(16)17/h5-8,11-13H,9-10H2,1-4H3,(H,20,21)
InChIKeyGTAFJLRIEQCGKZ-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.10
Rot. Bonds5

About 2-methyl-N-(5-methylhexan-2-yl)quinoline-4-carboxamide

2-methyl-N-(5-methylhexan-2-yl)quinoline-4-carboxamide (PubChem CID 4877911) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-methyl-N-(5-methylhexan-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(5-methylhexan-2-yl)quinoline-4-carboxamide
PubChem CID4877911
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-methyl-N-(5-methylhexan-2-yl)quinoline-4-carboxamide
SMILESCc1cc(C(=O)NC(C)CCC(C)C)c2ccccc2n1
InChIInChI=1S/C18H24N2O/c1-12(2)9-10-13(3)20-18(21)16-11-14(4)19-17-8-6-5-7-15(16)17/h5-8,11-13H,9-10H2,1-4H3,(H,20,21)
InChIKeyGTAFJLRIEQCGKZ-UHFFFAOYSA-N
XLogP4.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide
CID 62094391
2-methyl-N-[(2R)-4-phenylbutan-2-yl]quinoline-4-carboxamide
CID 7032720
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2-methylquinoline-4-carboxamide
CID 60574501
N-(1-cyanoethyl)-2-methylquinoline-4-carboxamide
CID 61119261
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-methylquinoline-4-carboxamide
CID 61121065
N-(1-cyanobutyl)-2-methylquinoline-4-carboxamide
CID 60549944
3-methyl-1-(2-methylquinolin-4-yl)butan-1-one
CID 105077594
2-methyl-N-(5-methylhexan-2-yl)quinolin-4-amine
CID 63926717
N-[1-(2-methoxyphenyl)ethyl]-2-methylquinoline-4-carboxamide
CID 4883107
N,2-dimethyl-N-(2-methylpropyl)quinoline-4-carboxamide
CID 134005837
4-[(2-propan-2-ylquinoline-4-carbonyl)amino]pentanoic acid
CID 120534876
(2S)-2-hydroxy-4-[(2-methylquinoline-4-carbonyl)amino]butanoic acid
CID 107834591

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methylhexan-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-methyl-N-(5-methylhexan-2-yl)quinoline-4-carboxamide (CID 4877911) is 2-methyl-N-(5-methylhexan-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(5-methylhexan-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-methyl-N-(5-methylhexan-2-yl)quinoline-4-carboxamide is Cc1cc(C(=O)NC(C)CCC(C)C)c2ccccc2n1.
What is the InChIKey of 2-methyl-N-(5-methylhexan-2-yl)quinoline-4-carboxamide?
The InChIKey is GTAFJLRIEQCGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-12(2)9-10-13(3)20-18(21)16-11-14(4)19-17-8-6-5-7-15(16)17/h5-8,11-13H,9-10H2,1-4H3,(H,20,21).
What are the key properties of 2-methyl-N-(5-methylhexan-2-yl)quinoline-4-carboxamide?
2-methyl-N-(5-methylhexan-2-yl)quinoline-4-carboxamide has a molecular weight of 284.40 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methylhexan-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 4877911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).