2-(5,7-dimethoxyquinolin-2-yl)acetonitrile

C13H12N2O2 — CID 84625416

IUPAC2-(5,7-dimethoxyquinolin-2-yl)acetonitrile
SMILESCOc1cc(OC)c2ccc(CC#N)nc2c1
InChIInChI=1S/C13H12N2O2/c1-16-10-7-12-11(13(8-10)17-2)4-3-9(15-12)5-6-14/h3-4,7-8H,5H2,1-2H3
InChIKeyWIKIWPYWWSBQFH-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.32
Rot. Bonds3

About 2-(5,7-dimethoxyquinolin-2-yl)acetonitrile

2-(5,7-dimethoxyquinolin-2-yl)acetonitrile (PubChem CID 84625416) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-(5,7-dimethoxyquinolin-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(5,7-dimethoxyquinolin-2-yl)acetonitrile
PubChem CID84625416
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name2-(5,7-dimethoxyquinolin-2-yl)acetonitrile
SMILESCOc1cc(OC)c2ccc(CC#N)nc2c1
InChIInChI=1S/C13H12N2O2/c1-16-10-7-12-11(13(8-10)17-2)4-3-9(15-12)5-6-14/h3-4,7-8H,5H2,1-2H3
InChIKeyWIKIWPYWWSBQFH-UHFFFAOYSA-N
XLogP2.32
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(dimethylamino)-7-methoxyquinolin-2-yl]acetonitrile
CID 82243793
1,3,6,8-tetramethoxyacridine
CID 175793272
2-(8-methoxyquinolin-2-yl)acetonitrile
CID 82241154
2-(2,4-dimethoxy-6-methylphenyl)acetonitrile
CID 42638625
2-(5-fluoro-6-methoxy-2-pyridinyl)acetonitrile
CID 84765026
2-[4-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 134682248
2-(7-chloro-4-methylquinolin-2-yl)acetonitrile
CID 84622518
2-(7-fluoro-4-methylquinolin-2-yl)acetonitrile
CID 84619654
2-[4,6-bis(4-methoxyphenoxy)-2-pyridinyl]acetonitrile
CID 101497530
5,7-dimethoxy-3-methylquinolin-2-amine
CID 63232255
2-[3-(cyanomethyl)-5-methoxyphenyl]acetonitrile
CID 19746279
2-[5-methoxy-6-(2,3,6-trichlorophenyl)-2-pyridinyl]acetonitrile
CID 133094290

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethoxyquinolin-2-yl)acetonitrile?
The IUPAC name of 2-(5,7-dimethoxyquinolin-2-yl)acetonitrile (CID 84625416) is 2-(5,7-dimethoxyquinolin-2-yl)acetonitrile.
What is the SMILES notation for 2-(5,7-dimethoxyquinolin-2-yl)acetonitrile?
The canonical SMILES for 2-(5,7-dimethoxyquinolin-2-yl)acetonitrile is COc1cc(OC)c2ccc(CC#N)nc2c1.
What is the InChIKey of 2-(5,7-dimethoxyquinolin-2-yl)acetonitrile?
The InChIKey is WIKIWPYWWSBQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-16-10-7-12-11(13(8-10)17-2)4-3-9(15-12)5-6-14/h3-4,7-8H,5H2,1-2H3.
What are the key properties of 2-(5,7-dimethoxyquinolin-2-yl)acetonitrile?
2-(5,7-dimethoxyquinolin-2-yl)acetonitrile has a molecular weight of 228.25 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethoxyquinolin-2-yl)acetonitrile is sourced from PubChem (CID 84625416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).