2-(3-ethyl-2-methoxyquinolin-7-yl)acetonitrile;methane

C15H18N2O — CID 164511422

IUPAC2-(3-ethyl-2-methoxyquinolin-7-yl)acetonitrile;methane
SMILESC.CCc1cc2ccc(CC#N)cc2nc1OC
InChIInChI=1S/C14H14N2O.CH4/c1-3-11-9-12-5-4-10(6-7-15)8-13(12)16-14(11)17-2;/h4-5,8-9H,3,6H2,1-2H3;1H4
InChIKeyZCOJCZNNWKKOBS-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.51
Rot. Bonds3

About 2-(3-ethyl-2-methoxyquinolin-7-yl)acetonitrile;methane

2-(3-ethyl-2-methoxyquinolin-7-yl)acetonitrile;methane (PubChem CID 164511422) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(3-ethyl-2-methoxyquinolin-7-yl)acetonitrile;methane.

Molecular Properties

Compound Name2-(3-ethyl-2-methoxyquinolin-7-yl)acetonitrile;methane
PubChem CID164511422
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-(3-ethyl-2-methoxyquinolin-7-yl)acetonitrile;methane
SMILESC.CCc1cc2ccc(CC#N)cc2nc1OC
InChIInChI=1S/C14H14N2O.CH4/c1-3-11-9-12-5-4-10(6-7-15)8-13(12)16-14(11)17-2;/h4-5,8-9H,3,6H2,1-2H3;1H4
InChIKeyZCOJCZNNWKKOBS-UHFFFAOYSA-N
XLogP3.51
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(3-ethyl-2-methoxyquinolin-7-yl)-2-methylpropanenitrile
CID 59393114
3-bromo-2-(3-ethyl-2-methoxyquinolin-7-yl)-2-methylpropanenitrile
CID 59393221
2-(3-ethyl-2-methoxyquinolin-7-yl)-3-(3-hydroxyphenyl)-2-methylpropanenitrile
CID 59392990
cyclopropyl-(3-ethyl-2-methoxyquinolin-7-yl)methanone
CID 59393071
(3-ethyl-2-methoxyquinolin-7-yl)-phenylmethanone
CID 59393104
1-(3-ethyl-2-methoxyquinolin-7-yl)butan-1-ol
CID 59393145
2-(3-ethyl-6-fluoro-2-methoxyquinolin-7-yl)propanenitrile
CID 59393260
(5Z,7E)-2-(3-ethyl-2-methoxyquinolin-7-yl)-8-iodo-2-methyl-4-methylidenenona-5,7-dienenitrile
CID 145469826
3-ethyl-7-methoxy-2-methylquinoline
CID 90882709
2-(4-formyl-3-methoxyphenyl)acetonitrile
CID 21348723
2-[4-fluoro-3-(4-methoxyphenoxy)phenyl]acetonitrile
CID 54073521
ethane;2-(4-ethylphenyl)acetonitrile
CID 143828452

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-methoxyquinolin-7-yl)acetonitrile;methane?
The IUPAC name of 2-(3-ethyl-2-methoxyquinolin-7-yl)acetonitrile;methane (CID 164511422) is 2-(3-ethyl-2-methoxyquinolin-7-yl)acetonitrile;methane.
What is the SMILES notation for 2-(3-ethyl-2-methoxyquinolin-7-yl)acetonitrile;methane?
The canonical SMILES for 2-(3-ethyl-2-methoxyquinolin-7-yl)acetonitrile;methane is C.CCc1cc2ccc(CC#N)cc2nc1OC.
What is the InChIKey of 2-(3-ethyl-2-methoxyquinolin-7-yl)acetonitrile;methane?
The InChIKey is ZCOJCZNNWKKOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O.CH4/c1-3-11-9-12-5-4-10(6-7-15)8-13(12)16-14(11)17-2;/h4-5,8-9H,3,6H2,1-2H3;1H4.
What are the key properties of 2-(3-ethyl-2-methoxyquinolin-7-yl)acetonitrile;methane?
2-(3-ethyl-2-methoxyquinolin-7-yl)acetonitrile;methane has a molecular weight of 242.32 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-methoxyquinolin-7-yl)acetonitrile;methane is sourced from PubChem (CID 164511422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).