N-[2-ethyl-2-(hydroxymethyl)butyl]quinoline-8-carboxamide

C17H22N2O2 — CID 103843875

IUPACN-[2-ethyl-2-(hydroxymethyl)butyl]quinoline-8-carboxamide
SMILESCCC(CC)(CO)CNC(=O)c1cccc2cccnc12
InChIInChI=1S/C17H22N2O2/c1-3-17(4-2,12-20)11-19-16(21)14-9-5-7-13-8-6-10-18-15(13)14/h5-10,20H,3-4,11-12H2,1-2H3,(H,19,21)
InChIKeyZTFGVLHDEOBPCG-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.76
Rot. Bonds6

About N-[2-ethyl-2-(hydroxymethyl)butyl]quinoline-8-carboxamide

N-[2-ethyl-2-(hydroxymethyl)butyl]quinoline-8-carboxamide (PubChem CID 103843875) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[2-ethyl-2-(hydroxymethyl)butyl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[2-ethyl-2-(hydroxymethyl)butyl]quinoline-8-carboxamide
PubChem CID103843875
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[2-ethyl-2-(hydroxymethyl)butyl]quinoline-8-carboxamide
SMILESCCC(CC)(CO)CNC(=O)c1cccc2cccnc12
InChIInChI=1S/C17H22N2O2/c1-3-17(4-2,12-20)11-19-16(21)14-9-5-7-13-8-6-10-18-15(13)14/h5-10,20H,3-4,11-12H2,1-2H3,(H,19,21)
InChIKeyZTFGVLHDEOBPCG-UHFFFAOYSA-N
XLogP2.76
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-ethylbutyl)quinoline-8-carboxamide;dihydrochloride
CID 119641919
N-(2-hydroxy-2-methylpropyl)quinoline-8-carboxamide
CID 65109650
N-(2-methyl-2-morpholin-4-ylpropyl)quinoline-8-carboxamide
CID 17459698
N-(3-cyanopentan-3-yl)quinoline-8-carboxamide
CID 62849554
N-(3-amino-2-hydroxy-3-oxopropyl)quinoline-8-carboxamide
CID 106165340
2-amino-3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide
CID 106249355
N-(1-amino-3-methylpentan-3-yl)quinoline-8-carboxamide
CID 106164386
N-(2-cyanobutan-2-yl)quinoline-8-carboxamide
CID 62849552
N-[(2-hydroxyphenyl)methyl]quinoline-8-carboxamide
CID 115598832
N-[2-(methylamino)propyl]quinoline-8-carboxamide;dihydrochloride
CID 120829987
N-[2-(chloromethyl)-2-ethylbutyl]quinoline-5-carboxamide
CID 106253827
2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyridine-3-carboxamide
CID 113334693

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]quinoline-8-carboxamide?
The IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]quinoline-8-carboxamide (CID 103843875) is N-[2-ethyl-2-(hydroxymethyl)butyl]quinoline-8-carboxamide.
What is the SMILES notation for N-[2-ethyl-2-(hydroxymethyl)butyl]quinoline-8-carboxamide?
The canonical SMILES for N-[2-ethyl-2-(hydroxymethyl)butyl]quinoline-8-carboxamide is CCC(CC)(CO)CNC(=O)c1cccc2cccnc12.
What is the InChIKey of N-[2-ethyl-2-(hydroxymethyl)butyl]quinoline-8-carboxamide?
The InChIKey is ZTFGVLHDEOBPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-17(4-2,12-20)11-19-16(21)14-9-5-7-13-8-6-10-18-15(13)14/h5-10,20H,3-4,11-12H2,1-2H3,(H,19,21).
What are the key properties of N-[2-ethyl-2-(hydroxymethyl)butyl]quinoline-8-carboxamide?
N-[2-ethyl-2-(hydroxymethyl)butyl]quinoline-8-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-2-(hydroxymethyl)butyl]quinoline-8-carboxamide is sourced from PubChem (CID 103843875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).