4-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]quinoline-2-carbonitrile

C17H19N3O — CID 133376100

IUPAC4-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]quinoline-2-carbonitrile
SMILESN#Cc1cc(NCC2(CCO)CCC2)c2ccccc2n1
InChIInChI=1S/C17H19N3O/c18-11-13-10-16(14-4-1-2-5-15(14)20-13)19-12-17(8-9-21)6-3-7-17/h1-2,4-5,10,21H,3,6-9,12H2,(H,19,20)
InChIKeyWQXYTFSLXPWICJ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.07
Rot. Bonds5

About 4-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]quinoline-2-carbonitrile

4-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]quinoline-2-carbonitrile (PubChem CID 133376100) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]quinoline-2-carbonitrile.

Molecular Properties

Compound Name4-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]quinoline-2-carbonitrile
PubChem CID133376100
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name4-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]quinoline-2-carbonitrile
SMILESN#Cc1cc(NCC2(CCO)CCC2)c2ccccc2n1
InChIInChI=1S/C17H19N3O/c18-11-13-10-16(14-4-1-2-5-15(14)20-13)19-12-17(8-9-21)6-3-7-17/h1-2,4-5,10,21H,3,6-9,12H2,(H,19,20)
InChIKeyWQXYTFSLXPWICJ-UHFFFAOYSA-N
XLogP3.07
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]benzonitrile
CID 133376054
4-[(2-hydroxy-3-methylpentyl)amino]quinoline-2-carbonitrile
CID 133352700
[1-[(cinnolin-4-ylamino)methyl]cyclopentyl]methanol
CID 115360663
2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]quinoline-4-carboxylic acid
CID 114756945
N-[[1-(aminomethyl)cyclopentyl]methyl]-2-methylquinolin-4-amine
CID 115366049
3-[(2-cyanoquinolin-4-yl)amino]-2,2-dimethylpropanamide
CID 133318102
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]quinoline-4-carbonitrile
CID 79479205
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2-methylquinolin-4-amine
CID 114759234
2-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]-5-(trifluoromethyl)benzonitrile
CID 133375968
4-amino-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzonitrile
CID 114755919
2-[1-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]cyclopropyl]ethanol
CID 114759530
N-[3-[[(2-cyanoquinolin-4-yl)amino]methyl]phenyl]cyclobutanecarboxamide
CID 133310371

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]quinoline-2-carbonitrile?
The IUPAC name of 4-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]quinoline-2-carbonitrile (CID 133376100) is 4-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]quinoline-2-carbonitrile.
What is the SMILES notation for 4-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]quinoline-2-carbonitrile?
The canonical SMILES for 4-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]quinoline-2-carbonitrile is N#Cc1cc(NCC2(CCO)CCC2)c2ccccc2n1.
What is the InChIKey of 4-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]quinoline-2-carbonitrile?
The InChIKey is WQXYTFSLXPWICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c18-11-13-10-16(14-4-1-2-5-15(14)20-13)19-12-17(8-9-21)6-3-7-17/h1-2,4-5,10,21H,3,6-9,12H2,(H,19,20).
What are the key properties of 4-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]quinoline-2-carbonitrile?
4-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]quinoline-2-carbonitrile has a molecular weight of 281.36 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]quinoline-2-carbonitrile is sourced from PubChem (CID 133376100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).