2-[cyclopentyl(2-hydroxyethyl)amino]quinoline-4-carbonitrile

C17H19N3O — CID 63884675

IUPAC2-[cyclopentyl(2-hydroxyethyl)amino]quinoline-4-carbonitrile
SMILESN#Cc1cc(N(CCO)C2CCCC2)nc2ccccc12
InChIInChI=1S/C17H19N3O/c18-12-13-11-17(19-16-8-4-3-7-15(13)16)20(9-10-21)14-5-1-2-6-14/h3-4,7-8,11,14,21H,1-2,5-6,9-10H2
InChIKeyVYYBKZQNFAWZBQ-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.85
Rot. Bonds4

About 2-[cyclopentyl(2-hydroxyethyl)amino]quinoline-4-carbonitrile

2-[cyclopentyl(2-hydroxyethyl)amino]quinoline-4-carbonitrile (PubChem CID 63884675) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[cyclopentyl(2-hydroxyethyl)amino]quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-[cyclopentyl(2-hydroxyethyl)amino]quinoline-4-carbonitrile
PubChem CID63884675
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-[cyclopentyl(2-hydroxyethyl)amino]quinoline-4-carbonitrile
SMILESN#Cc1cc(N(CCO)C2CCCC2)nc2ccccc12
InChIInChI=1S/C17H19N3O/c18-12-13-11-17(19-16-8-4-3-7-15(13)16)20(9-10-21)14-5-1-2-6-14/h3-4,7-8,11,14,21H,1-2,5-6,9-10H2
InChIKeyVYYBKZQNFAWZBQ-UHFFFAOYSA-N
XLogP2.85
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-[4-(hydroxymethyl)quinolin-2-yl]amino]ethanol
CID 54995160
3-[cyclobutyl-[4-(hydroxymethyl)quinolin-2-yl]amino]propan-1-ol
CID 102869247
2-[cyclobutyl(3-hydroxypropyl)amino]quinoline-3-carbonitrile
CID 102862336
2-[(4-aminocyclohexyl)-methylamino]quinoline-4-carbonitrile
CID 79113317
2-[methyl-[(2-methylcyclopropyl)methyl]amino]quinoline-4-carbonitrile
CID 63884111
1-(4-cyanoquinolin-2-yl)-3-(cyclopropylmethyl)-1-methylurea
CID 155950697
2-[cyclopropylmethyl(propan-2-yl)amino]quinoline-4-carbonitrile
CID 63885853
2-[methyl(thiolan-3-yl)amino]quinoline-4-carbonitrile
CID 63885847
2-[methyl(pyrrolidin-3-yl)amino]quinoline-4-carbonitrile
CID 63883694
3-[cyclobutyl(quinoxalin-2-yl)amino]propan-1-ol
CID 102846714
5-amino-2-[cyclopentyl(2-hydroxyethyl)amino]pyridine-3-carbonitrile
CID 54993728
methyl 3-[(4-cyanoquinolin-2-yl)-methylamino]propanoate
CID 63884090

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(2-hydroxyethyl)amino]quinoline-4-carbonitrile?
The IUPAC name of 2-[cyclopentyl(2-hydroxyethyl)amino]quinoline-4-carbonitrile (CID 63884675) is 2-[cyclopentyl(2-hydroxyethyl)amino]quinoline-4-carbonitrile.
What is the SMILES notation for 2-[cyclopentyl(2-hydroxyethyl)amino]quinoline-4-carbonitrile?
The canonical SMILES for 2-[cyclopentyl(2-hydroxyethyl)amino]quinoline-4-carbonitrile is N#Cc1cc(N(CCO)C2CCCC2)nc2ccccc12.
What is the InChIKey of 2-[cyclopentyl(2-hydroxyethyl)amino]quinoline-4-carbonitrile?
The InChIKey is VYYBKZQNFAWZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c18-12-13-11-17(19-16-8-4-3-7-15(13)16)20(9-10-21)14-5-1-2-6-14/h3-4,7-8,11,14,21H,1-2,5-6,9-10H2.
What are the key properties of 2-[cyclopentyl(2-hydroxyethyl)amino]quinoline-4-carbonitrile?
2-[cyclopentyl(2-hydroxyethyl)amino]quinoline-4-carbonitrile has a molecular weight of 281.36 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(2-hydroxyethyl)amino]quinoline-4-carbonitrile is sourced from PubChem (CID 63884675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).