2-(8-methoxyquinolin-2-yl)acetonitrile

C12H10N2O — CID 82241154

IUPAC2-(8-methoxyquinolin-2-yl)acetonitrile
SMILESCOc1cccc2ccc(CC#N)nc12
InChIInChI=1S/C12H10N2O/c1-15-11-4-2-3-9-5-6-10(7-8-13)14-12(9)11/h2-6H,7H2,1H3
InChIKeyFYVAMSRRUWXRMP-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.31
Rot. Bonds2

About 2-(8-methoxyquinolin-2-yl)acetonitrile

2-(8-methoxyquinolin-2-yl)acetonitrile (PubChem CID 82241154) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-(8-methoxyquinolin-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(8-methoxyquinolin-2-yl)acetonitrile
PubChem CID82241154
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name2-(8-methoxyquinolin-2-yl)acetonitrile
SMILESCOc1cccc2ccc(CC#N)nc12
InChIInChI=1S/C12H10N2O/c1-15-11-4-2-3-9-5-6-10(7-8-13)14-12(9)11/h2-6H,7H2,1H3
InChIKeyFYVAMSRRUWXRMP-UHFFFAOYSA-N
XLogP2.31
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[8-(trifluoromethyl)quinolin-2-yl]acetonitrile
CID 82243374
cadmium(2+);1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine;diperchlorate
CID 139166073
(2R)-1-(8-methoxyquinolin-2-yl)-N-methylpropan-2-amine
CID 59649232
N-[2-(8-methoxyquinolin-2-yl)ethyl]propan-1-amine
CID 80703316
N-[(8-methoxyquinolin-2-yl)methyl]-3-methylpentan-3-amine
CID 106328471
N-[(8-methoxyquinolin-2-yl)methyl]-1H-pyrazol-4-amine
CID 80701790
3-[(8-methoxyquinolin-2-yl)methylamino]phenol
CID 80702906
2-fluoro-8-methoxyquinoline
CID 54155138
2-methoxy-N-[(8-methoxyquinolin-2-yl)methyl]-2-methylpropan-1-amine
CID 104759612
N-[(8-methoxyquinolin-2-yl)methyl]-2-methylbutan-1-amine
CID 80703435
5-[(8-methoxyquinolin-2-yl)methylamino]pentan-1-ol
CID 107316801
8-methoxy-N-methylquinolin-2-amine
CID 57292538

Frequently Asked Questions

What is the IUPAC name of 2-(8-methoxyquinolin-2-yl)acetonitrile?
The IUPAC name of 2-(8-methoxyquinolin-2-yl)acetonitrile (CID 82241154) is 2-(8-methoxyquinolin-2-yl)acetonitrile.
What is the SMILES notation for 2-(8-methoxyquinolin-2-yl)acetonitrile?
The canonical SMILES for 2-(8-methoxyquinolin-2-yl)acetonitrile is COc1cccc2ccc(CC#N)nc12.
What is the InChIKey of 2-(8-methoxyquinolin-2-yl)acetonitrile?
The InChIKey is FYVAMSRRUWXRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c1-15-11-4-2-3-9-5-6-10(7-8-13)14-12(9)11/h2-6H,7H2,1H3.
What are the key properties of 2-(8-methoxyquinolin-2-yl)acetonitrile?
2-(8-methoxyquinolin-2-yl)acetonitrile has a molecular weight of 198.22 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methoxyquinolin-2-yl)acetonitrile is sourced from PubChem (CID 82241154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).