N-[[1-(ethoxymethyl)cyclobutyl]methyl]quinoline-6-carboxamide

C18H22N2O2 — CID 122558840

IUPACN-[[1-(ethoxymethyl)cyclobutyl]methyl]quinoline-6-carboxamide
SMILESCCOCC1(CNC(=O)c2ccc3ncccc3c2)CCC1
InChIInChI=1S/C18H22N2O2/c1-2-22-13-18(8-4-9-18)12-20-17(21)15-6-7-16-14(11-15)5-3-10-19-16/h3,5-7,10-11H,2,4,8-9,12-13H2,1H3,(H,20,21)
InChIKeyXZGYBOPKDMZDQY-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.17
Rot. Bonds6

About N-[[1-(ethoxymethyl)cyclobutyl]methyl]quinoline-6-carboxamide

N-[[1-(ethoxymethyl)cyclobutyl]methyl]quinoline-6-carboxamide (PubChem CID 122558840) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[[1-(ethoxymethyl)cyclobutyl]methyl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[[1-(ethoxymethyl)cyclobutyl]methyl]quinoline-6-carboxamide
PubChem CID122558840
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[[1-(ethoxymethyl)cyclobutyl]methyl]quinoline-6-carboxamide
SMILESCCOCC1(CNC(=O)c2ccc3ncccc3c2)CCC1
InChIInChI=1S/C18H22N2O2/c1-2-22-13-18(8-4-9-18)12-20-17(21)15-6-7-16-14(11-15)5-3-10-19-16/h3,5-7,10-11H,2,4,8-9,12-13H2,1H3,(H,20,21)
InChIKeyXZGYBOPKDMZDQY-UHFFFAOYSA-N
XLogP3.17
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(ethoxymethyl)cyclobutyl]methyl]-2-methoxypyridine-3-carboxamide
CID 122556668
N-[[1-(ethoxymethyl)cyclobutyl]methyl]-3-[4-[(1S)-1-hydroxyethyl]phenyl]benzamide
CID 126425050
N-(2-ethylbutyl)quinoline-6-carboxamide
CID 115613111
N-octylquinoline-6-carboxamide
CID 68863650
1-(quinoline-6-carbonylamino)cyclobutane-1-carboxylic acid
CID 75355908
N-[[1-(ethoxymethyl)cyclobutyl]methyl]-4-(1-ethylpyrazol-4-yl)benzamide
CID 122572185
N-[3-(2-ethoxyethoxy)phenyl]quinoline-6-carboxamide
CID 143859399
N-(2-chlorobutyl)quinoline-6-carboxamide
CID 113492848
N-(2-chloroethyl)quinoline-6-carboxamide
CID 62874874
N-[(3,3-dimethylpiperidin-2-yl)methyl]quinoline-6-carboxamide
CID 120670665
2-methyl-3-(quinoline-6-carbonylamino)propanoic acid
CID 55126598
N-[2-(chloromethyl)-2-ethylbutyl]quinoline-6-carboxamide
CID 106253497

Frequently Asked Questions

What is the IUPAC name of N-[[1-(ethoxymethyl)cyclobutyl]methyl]quinoline-6-carboxamide?
The IUPAC name of N-[[1-(ethoxymethyl)cyclobutyl]methyl]quinoline-6-carboxamide (CID 122558840) is N-[[1-(ethoxymethyl)cyclobutyl]methyl]quinoline-6-carboxamide.
What is the SMILES notation for N-[[1-(ethoxymethyl)cyclobutyl]methyl]quinoline-6-carboxamide?
The canonical SMILES for N-[[1-(ethoxymethyl)cyclobutyl]methyl]quinoline-6-carboxamide is CCOCC1(CNC(=O)c2ccc3ncccc3c2)CCC1.
What is the InChIKey of N-[[1-(ethoxymethyl)cyclobutyl]methyl]quinoline-6-carboxamide?
The InChIKey is XZGYBOPKDMZDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-2-22-13-18(8-4-9-18)12-20-17(21)15-6-7-16-14(11-15)5-3-10-19-16/h3,5-7,10-11H,2,4,8-9,12-13H2,1H3,(H,20,21).
What are the key properties of N-[[1-(ethoxymethyl)cyclobutyl]methyl]quinoline-6-carboxamide?
N-[[1-(ethoxymethyl)cyclobutyl]methyl]quinoline-6-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(ethoxymethyl)cyclobutyl]methyl]quinoline-6-carboxamide is sourced from PubChem (CID 122558840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).