2-[cyclobutyl(3-hydroxypropyl)amino]quinoline-3-carbonitrile

C17H19N3O — CID 102862336

IUPAC2-[cyclobutyl(3-hydroxypropyl)amino]quinoline-3-carbonitrile
SMILESN#Cc1cc2ccccc2nc1N(CCCO)C1CCC1
InChIInChI=1S/C17H19N3O/c18-12-14-11-13-5-1-2-8-16(13)19-17(14)20(9-4-10-21)15-6-3-7-15/h1-2,5,8,11,15,21H,3-4,6-7,9-10H2
InChIKeyZPYVRKJJXRNZMX-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.85
Rot. Bonds5

About 2-[cyclobutyl(3-hydroxypropyl)amino]quinoline-3-carbonitrile

2-[cyclobutyl(3-hydroxypropyl)amino]quinoline-3-carbonitrile (PubChem CID 102862336) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[cyclobutyl(3-hydroxypropyl)amino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-[cyclobutyl(3-hydroxypropyl)amino]quinoline-3-carbonitrile
PubChem CID102862336
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-[cyclobutyl(3-hydroxypropyl)amino]quinoline-3-carbonitrile
SMILESN#Cc1cc2ccccc2nc1N(CCCO)C1CCC1
InChIInChI=1S/C17H19N3O/c18-12-14-11-13-5-1-2-8-16(13)19-17(14)20(9-4-10-21)15-6-3-7-15/h1-2,5,8,11,15,21H,3-4,6-7,9-10H2
InChIKeyZPYVRKJJXRNZMX-UHFFFAOYSA-N
XLogP2.85
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

3-[cyclobutyl(3-hydroxypropyl)amino]pyridazine-4-carbonitrile
CID 102862313
3-[cyclobutyl-[3-(hydroxymethyl)isoquinolin-1-yl]amino]propan-1-ol
CID 102869258
2-[cyclopentyl(2-hydroxyethyl)amino]quinoline-4-carbonitrile
CID 63884675
2-[cyclobutyl(2-hydroxyethyl)amino]-6-methylpyridine-3-carbonitrile
CID 102862392
2-[cyclobutyl(3-hydroxypropyl)amino]-4-methylbenzonitrile
CID 102862350
3-[cyclobutyl-[4-(hydroxymethyl)quinolin-2-yl]amino]propan-1-ol
CID 102869247
2-[cyclopropyl(2-hydroxyethyl)amino]quinoline-3-carbaldehyde
CID 54995444
3-[cyclobutyl(quinoxalin-2-yl)amino]propan-1-ol
CID 102846714
2-[cyclopentyl(2-hydroxyethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79875315
N-(2-chloroethyl)-N-cyclopentyl-3-methylquinolin-2-amine
CID 63388883
N'-cyclobutyl-N'-(3-methylquinolin-2-yl)ethane-1,2-diamine
CID 102874684
2-(hydroxymethyl)quinoline-3-carbonitrile
CID 83383623

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl(3-hydroxypropyl)amino]quinoline-3-carbonitrile?
The IUPAC name of 2-[cyclobutyl(3-hydroxypropyl)amino]quinoline-3-carbonitrile (CID 102862336) is 2-[cyclobutyl(3-hydroxypropyl)amino]quinoline-3-carbonitrile.
What is the SMILES notation for 2-[cyclobutyl(3-hydroxypropyl)amino]quinoline-3-carbonitrile?
The canonical SMILES for 2-[cyclobutyl(3-hydroxypropyl)amino]quinoline-3-carbonitrile is N#Cc1cc2ccccc2nc1N(CCCO)C1CCC1.
What is the InChIKey of 2-[cyclobutyl(3-hydroxypropyl)amino]quinoline-3-carbonitrile?
The InChIKey is ZPYVRKJJXRNZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c18-12-14-11-13-5-1-2-8-16(13)19-17(14)20(9-4-10-21)15-6-3-7-15/h1-2,5,8,11,15,21H,3-4,6-7,9-10H2.
What are the key properties of 2-[cyclobutyl(3-hydroxypropyl)amino]quinoline-3-carbonitrile?
2-[cyclobutyl(3-hydroxypropyl)amino]quinoline-3-carbonitrile has a molecular weight of 281.36 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl(3-hydroxypropyl)amino]quinoline-3-carbonitrile is sourced from PubChem (CID 102862336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).