N-tert-butyl-2,4-dimethylquinoline-6-carboxamide;ethane

C18H26N2O — CID 145015375

IUPACN-tert-butyl-2,4-dimethylquinoline-6-carboxamide;ethane
SMILESCC.Cc1cc(C)c2cc(C(=O)NC(C)(C)C)ccc2n1
InChIInChI=1S/C16H20N2O.C2H6/c1-10-8-11(2)17-14-7-6-12(9-13(10)14)15(19)18-16(3,4)5;1-2/h6-9H,1-5H3,(H,18,19);1-2H3
InChIKeyWUBCATBMIUUOMF-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.41
Rot. Bonds1

About N-tert-butyl-2,4-dimethylquinoline-6-carboxamide;ethane

N-tert-butyl-2,4-dimethylquinoline-6-carboxamide;ethane (PubChem CID 145015375) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-tert-butyl-2,4-dimethylquinoline-6-carboxamide;ethane.

Molecular Properties

Compound NameN-tert-butyl-2,4-dimethylquinoline-6-carboxamide;ethane
PubChem CID145015375
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-tert-butyl-2,4-dimethylquinoline-6-carboxamide;ethane
SMILESCC.Cc1cc(C)c2cc(C(=O)NC(C)(C)C)ccc2n1
InChIInChI=1S/C16H20N2O.C2H6/c1-10-8-11(2)17-14-7-6-12(9-13(10)14)15(19)18-16(3,4)5;1-2/h6-9H,1-5H3,(H,18,19);1-2H3
InChIKeyWUBCATBMIUUOMF-UHFFFAOYSA-N
XLogP4.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-3-(4,6-dimethylpyrimidin-2-yl)sulfanylbenzamide
CID 4644875
3-amino-N-tert-butyl-4-methylbenzamide
CID 12607979
4-(2-methoxyethylamino)-2-methylquinoline-6-carboxylic acid
CID 7137915
4-amino-2-methylquinoline-6-carboxylic acid;hydrochloride
CID 139269662
ethane;6-fluoro-2,4-dimethylquinoline
CID 142222878
3-[(2,4-dimethylquinoline-7-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 121496875
2,4-dimethyl-6-(trifluoromethyl)quinoline;ethane
CID 145015225
4-(2,4-dimethylanilino)-2-methylquinoline-6-carboxylic acid
CID 7719183
4-(4-chloro-2-methylanilino)-2-methylquinoline-6-carboxylate
CID 4257239
4-[4-(tert-butylcarbamoyl)benzoyl]benzoic acid
CID 10892724
ethane;6-methoxy-2,4-dimethylquinoline
CID 143681558
2,4-dimethyl-N-[1-(5-propan-2-yloxypyrimidin-2-yl)azetidin-3-yl]quinoline-6-carboxamide
CID 135126264

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,4-dimethylquinoline-6-carboxamide;ethane?
The IUPAC name of N-tert-butyl-2,4-dimethylquinoline-6-carboxamide;ethane (CID 145015375) is N-tert-butyl-2,4-dimethylquinoline-6-carboxamide;ethane.
What is the SMILES notation for N-tert-butyl-2,4-dimethylquinoline-6-carboxamide;ethane?
The canonical SMILES for N-tert-butyl-2,4-dimethylquinoline-6-carboxamide;ethane is CC.Cc1cc(C)c2cc(C(=O)NC(C)(C)C)ccc2n1.
What is the InChIKey of N-tert-butyl-2,4-dimethylquinoline-6-carboxamide;ethane?
The InChIKey is WUBCATBMIUUOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O.C2H6/c1-10-8-11(2)17-14-7-6-12(9-13(10)14)15(19)18-16(3,4)5;1-2/h6-9H,1-5H3,(H,18,19);1-2H3.
What are the key properties of N-tert-butyl-2,4-dimethylquinoline-6-carboxamide;ethane?
N-tert-butyl-2,4-dimethylquinoline-6-carboxamide;ethane has a molecular weight of 286.42 g/mol, XLogP of 4.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,4-dimethylquinoline-6-carboxamide;ethane is sourced from PubChem (CID 145015375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).