2-[methyl(oxolan-2-ylmethyl)amino]quinoline-6-carbonitrile

C16H17N3O — CID 133443913

IUPAC2-[methyl(oxolan-2-ylmethyl)amino]quinoline-6-carbonitrile
SMILESCN(CC1CCCO1)c1ccc2cc(C#N)ccc2n1
InChIInChI=1S/C16H17N3O/c1-19(11-14-3-2-8-20-14)16-7-5-13-9-12(10-17)4-6-15(13)18-16/h4-7,9,14H,2-3,8,11H2,1H3
InChIKeyJPPSJXICZQUMRN-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.72
Rot. Bonds3

About 2-[methyl(oxolan-2-ylmethyl)amino]quinoline-6-carbonitrile

2-[methyl(oxolan-2-ylmethyl)amino]quinoline-6-carbonitrile (PubChem CID 133443913) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[methyl(oxolan-2-ylmethyl)amino]quinoline-6-carbonitrile.

Molecular Properties

Compound Name2-[methyl(oxolan-2-ylmethyl)amino]quinoline-6-carbonitrile
PubChem CID133443913
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-[methyl(oxolan-2-ylmethyl)amino]quinoline-6-carbonitrile
SMILESCN(CC1CCCO1)c1ccc2cc(C#N)ccc2n1
InChIInChI=1S/C16H17N3O/c1-19(11-14-3-2-8-20-14)16-7-5-13-9-12(10-17)4-6-15(13)18-16/h4-7,9,14H,2-3,8,11H2,1H3
InChIKeyJPPSJXICZQUMRN-UHFFFAOYSA-N
XLogP2.72
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-6-nitro-N-(oxan-2-ylmethyl)quinolin-2-amine
CID 133271741
N-methyl-N-(oxan-2-ylmethyl)quinolin-2-amine
CID 133271800
3-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]benzonitrile
CID 61435760
4-[methyl-[2-(oxolan-2-yl)ethyl]amino]benzonitrile
CID 65161052
2-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]quinoline-6-carbonitrile
CID 133463393
3-[methyl-[3-(oxolan-2-yl)propyl]amino]benzonitrile
CID 65161053
2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 61435511
4-[ethyl(oxolan-2-ylmethyl)amino]benzonitrile
CID 61435563
2-methyl-6-[methyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 67287490
2-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]benzonitrile
CID 113295571
5-bromo-N,6-dimethyl-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 103915128
3-methyl-2-[2-(oxolan-2-yl)ethyl]benzimidazole-5-carbonitrile
CID 104712445

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(oxolan-2-ylmethyl)amino]quinoline-6-carbonitrile?
The IUPAC name of 2-[methyl(oxolan-2-ylmethyl)amino]quinoline-6-carbonitrile (CID 133443913) is 2-[methyl(oxolan-2-ylmethyl)amino]quinoline-6-carbonitrile.
What is the SMILES notation for 2-[methyl(oxolan-2-ylmethyl)amino]quinoline-6-carbonitrile?
The canonical SMILES for 2-[methyl(oxolan-2-ylmethyl)amino]quinoline-6-carbonitrile is CN(CC1CCCO1)c1ccc2cc(C#N)ccc2n1.
What is the InChIKey of 2-[methyl(oxolan-2-ylmethyl)amino]quinoline-6-carbonitrile?
The InChIKey is JPPSJXICZQUMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-19(11-14-3-2-8-20-14)16-7-5-13-9-12(10-17)4-6-15(13)18-16/h4-7,9,14H,2-3,8,11H2,1H3.
What are the key properties of 2-[methyl(oxolan-2-ylmethyl)amino]quinoline-6-carbonitrile?
2-[methyl(oxolan-2-ylmethyl)amino]quinoline-6-carbonitrile has a molecular weight of 267.33 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(oxolan-2-ylmethyl)amino]quinoline-6-carbonitrile is sourced from PubChem (CID 133443913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).