N-tert-butyl-2,6-dimethylquinoline-3-carboxamide

C16H20N2O — CID 47130649

IUPACN-tert-butyl-2,6-dimethylquinoline-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)NC(C)(C)C)cc2c1
InChIInChI=1S/C16H20N2O/c1-10-6-7-14-12(8-10)9-13(11(2)17-14)15(19)18-16(3,4)5/h6-9H,1-5H3,(H,18,19)
InChIKeyIBXLSXFPGRWRPA-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.38
Rot. Bonds1

About N-tert-butyl-2,6-dimethylquinoline-3-carboxamide

N-tert-butyl-2,6-dimethylquinoline-3-carboxamide (PubChem CID 47130649) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-tert-butyl-2,6-dimethylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2,6-dimethylquinoline-3-carboxamide
PubChem CID47130649
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-tert-butyl-2,6-dimethylquinoline-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)NC(C)(C)C)cc2c1
InChIInChI=1S/C16H20N2O/c1-10-6-7-14-12(8-10)9-13(11(2)17-14)15(19)18-16(3,4)5/h6-9H,1-5H3,(H,18,19)
InChIKeyIBXLSXFPGRWRPA-UHFFFAOYSA-N
XLogP3.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2R)-2-[(2,6-dimethylquinoline-3-carbonyl)amino]-2-methylpentanoate
CID 51935103
2,6-dimethyl-N-(2-methylphenyl)quinoline-3-carboxamide
CID 51283578
N-(4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide
CID 34742642
1-[(2,6-dimethylquinoline-3-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 122135248
N-(2-chloro-6-methylphenyl)-2,6-dimethylquinoline-3-carboxamide
CID 96566964
1-N,2-N,4-N,5-N-tetratert-butylbenzene-1,2,4,5-tetracarboxamide
CID 141420303
methyl 3-[(2,6-dimethylquinoline-3-carbonyl)amino]benzoate
CID 34059816
N-(4-bromo-2-chlorophenyl)-2,6-dimethylquinoline-3-carboxamide
CID 24562991
N-[3-(dimethylcarbamoyl)phenyl]-2,6-dimethylquinoline-3-carboxamide
CID 32851617
N-(2-bromo-6-fluorophenyl)-2,6-dimethylquinoline-3-carboxamide
CID 100642237
N-(6-acetyl-1,3-benzodioxol-5-yl)-2,6-dimethylquinoline-3-carboxamide
CID 51283741
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2,6-dimethylquinoline-3-carboxamide
CID 39821091

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,6-dimethylquinoline-3-carboxamide?
The IUPAC name of N-tert-butyl-2,6-dimethylquinoline-3-carboxamide (CID 47130649) is N-tert-butyl-2,6-dimethylquinoline-3-carboxamide.
What is the SMILES notation for N-tert-butyl-2,6-dimethylquinoline-3-carboxamide?
The canonical SMILES for N-tert-butyl-2,6-dimethylquinoline-3-carboxamide is Cc1ccc2nc(C)c(C(=O)NC(C)(C)C)cc2c1.
What is the InChIKey of N-tert-butyl-2,6-dimethylquinoline-3-carboxamide?
The InChIKey is IBXLSXFPGRWRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-10-6-7-14-12(8-10)9-13(11(2)17-14)15(19)18-16(3,4)5/h6-9H,1-5H3,(H,18,19).
What are the key properties of N-tert-butyl-2,6-dimethylquinoline-3-carboxamide?
N-tert-butyl-2,6-dimethylquinoline-3-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,6-dimethylquinoline-3-carboxamide is sourced from PubChem (CID 47130649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).