N-butyl-2-(2-methylpropyl)quinoline-6-carboxamide

C18H24N2O — CID 151506512

IUPACN-butyl-2-(2-methylpropyl)quinoline-6-carboxamide
SMILESCCCCNC(=O)c1ccc2nc(CC(C)C)ccc2c1
InChIInChI=1S/C18H24N2O/c1-4-5-10-19-18(21)15-7-9-17-14(12-15)6-8-16(20-17)11-13(2)3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,19,21)
InChIKeyPRNRBYBWBGSLRR-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.96
Rot. Bonds6

About N-butyl-2-(2-methylpropyl)quinoline-6-carboxamide

N-butyl-2-(2-methylpropyl)quinoline-6-carboxamide (PubChem CID 151506512) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-butyl-2-(2-methylpropyl)quinoline-6-carboxamide.

Molecular Properties

Compound NameN-butyl-2-(2-methylpropyl)quinoline-6-carboxamide
PubChem CID151506512
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-butyl-2-(2-methylpropyl)quinoline-6-carboxamide
SMILESCCCCNC(=O)c1ccc2nc(CC(C)C)ccc2c1
InChIInChI=1S/C18H24N2O/c1-4-5-10-19-18(21)15-7-9-17-14(12-15)6-8-16(20-17)11-13(2)3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,19,21)
InChIKeyPRNRBYBWBGSLRR-UHFFFAOYSA-N
XLogP3.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-octylquinoline-6-carboxamide
CID 68863650
N-pentylnaphthalene-2-carboxamide
CID 91722098
N-octadecylnaphthalene-2-carboxamide
CID 20549010
N-heptylnaphthalene-2-carboxamide
CID 91722099
N-butyl-1,2,3-benzothiadiazole-6-carboxamide
CID 17015087
N-butyl-5-ethenylnaphthalene-2-carboxamide
CID 171396737
N-hexylisoquinoline-6-carboxamide
CID 110485174
N-butyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 51180619
N-[3-[butyl(methyl)amino]propyl]-6-methylnaphthalene-2-carboxamide
CID 142825847
N-pentyl-2,3-diphenylquinoxaline-6-carboxamide
CID 43853055
6-(propylcarbamoyl)naphthalene-2-carboxylic acid
CID 139642234
N-propylnaphthalene-2-carboxamide
CID 6624536

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2-methylpropyl)quinoline-6-carboxamide?
The IUPAC name of N-butyl-2-(2-methylpropyl)quinoline-6-carboxamide (CID 151506512) is N-butyl-2-(2-methylpropyl)quinoline-6-carboxamide.
What is the SMILES notation for N-butyl-2-(2-methylpropyl)quinoline-6-carboxamide?
The canonical SMILES for N-butyl-2-(2-methylpropyl)quinoline-6-carboxamide is CCCCNC(=O)c1ccc2nc(CC(C)C)ccc2c1.
What is the InChIKey of N-butyl-2-(2-methylpropyl)quinoline-6-carboxamide?
The InChIKey is PRNRBYBWBGSLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-5-10-19-18(21)15-7-9-17-14(12-15)6-8-16(20-17)11-13(2)3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,19,21).
What are the key properties of N-butyl-2-(2-methylpropyl)quinoline-6-carboxamide?
N-butyl-2-(2-methylpropyl)quinoline-6-carboxamide has a molecular weight of 284.40 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2-methylpropyl)quinoline-6-carboxamide is sourced from PubChem (CID 151506512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).