2-(2-methoxyethylamino)-2-(2-methylquinolin-6-yl)acetonitrile

C15H17N3O — CID 105378886

IUPAC2-(2-methoxyethylamino)-2-(2-methylquinolin-6-yl)acetonitrile
SMILESCOCCNC(C#N)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C15H17N3O/c1-11-3-4-12-9-13(5-6-14(12)18-11)15(10-16)17-7-8-19-2/h3-6,9,15,17H,7-8H2,1-2H3
InChIKeyHWHLCIPNBNKLIC-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.34
Rot. Bonds5

About 2-(2-methoxyethylamino)-2-(2-methylquinolin-6-yl)acetonitrile

2-(2-methoxyethylamino)-2-(2-methylquinolin-6-yl)acetonitrile (PubChem CID 105378886) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-2-(2-methylquinolin-6-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-2-(2-methylquinolin-6-yl)acetonitrile
PubChem CID105378886
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-(2-methoxyethylamino)-2-(2-methylquinolin-6-yl)acetonitrile
SMILESCOCCNC(C#N)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C15H17N3O/c1-11-3-4-12-9-13(5-6-14(12)18-11)15(10-16)17-7-8-19-2/h3-6,9,15,17H,7-8H2,1-2H3
InChIKeyHWHLCIPNBNKLIC-UHFFFAOYSA-N
XLogP2.34
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylquinolin-6-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile
CID 105378881
2-(2-methoxyethylamino)-2-(4-methylphenyl)acetonitrile
CID 62542043
2-(3-ethoxy-4-hydroxyphenyl)-2-(2-methoxyethylamino)acetonitrile
CID 62541333
1-(2-methylquinolin-6-yl)-N-propylpropan-1-amine
CID 81220852
2-[2-(diethylamino)ethylamino]-2-quinolin-6-ylacetonitrile
CID 63968929
2-(2-methoxyethylamino)-2-[3-(trifluoromethoxy)phenyl]acetonitrile
CID 107104728
methyl 2-(ethylamino)-2-(2-methylquinolin-6-yl)acetate
CID 105378902
methyl 3-(2-methylquinolin-6-yl)-3-(propylamino)propanoate
CID 105379694
2-(2-methylquinolin-6-yl)-2-(propylamino)ethanol
CID 105379248
3-methyl-1-(2-methylquinolin-6-yl)-N-propylbutan-1-amine
CID 81220093
2-(3-bromophenyl)-2-(3-methoxypropylamino)acetonitrile
CID 52983623
1-(2-methylquinolin-6-yl)propan-1-ol
CID 81216711

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-2-(2-methylquinolin-6-yl)acetonitrile?
The IUPAC name of 2-(2-methoxyethylamino)-2-(2-methylquinolin-6-yl)acetonitrile (CID 105378886) is 2-(2-methoxyethylamino)-2-(2-methylquinolin-6-yl)acetonitrile.
What is the SMILES notation for 2-(2-methoxyethylamino)-2-(2-methylquinolin-6-yl)acetonitrile?
The canonical SMILES for 2-(2-methoxyethylamino)-2-(2-methylquinolin-6-yl)acetonitrile is COCCNC(C#N)c1ccc2nc(C)ccc2c1.
What is the InChIKey of 2-(2-methoxyethylamino)-2-(2-methylquinolin-6-yl)acetonitrile?
The InChIKey is HWHLCIPNBNKLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-11-3-4-12-9-13(5-6-14(12)18-11)15(10-16)17-7-8-19-2/h3-6,9,15,17H,7-8H2,1-2H3.
What are the key properties of 2-(2-methoxyethylamino)-2-(2-methylquinolin-6-yl)acetonitrile?
2-(2-methoxyethylamino)-2-(2-methylquinolin-6-yl)acetonitrile has a molecular weight of 255.32 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-2-(2-methylquinolin-6-yl)acetonitrile is sourced from PubChem (CID 105378886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).