2-(7-chloro-8-methylquinolin-4-yl)oxyacetonitrile

C12H9ClN2O — CID 53269576

IUPAC2-(7-chloro-8-methylquinolin-4-yl)oxyacetonitrile
SMILESCc1c(Cl)ccc2c(OCC#N)ccnc12
InChIInChI=1S/C12H9ClN2O/c1-8-10(13)3-2-9-11(16-7-5-14)4-6-15-12(8)9/h2-4,6H,7H2,1H3
InChIKeyALTIWJKZGDCNKH-UHFFFAOYSA-N
MW232.67 g/mol
LogP3.10
Rot. Bonds2

About 2-(7-chloro-8-methylquinolin-4-yl)oxyacetonitrile

2-(7-chloro-8-methylquinolin-4-yl)oxyacetonitrile (PubChem CID 53269576) has the molecular formula C12H9ClN2O and a molecular weight of 232.67 g/mol. Its IUPAC name is 2-(7-chloro-8-methylquinolin-4-yl)oxyacetonitrile.

Molecular Properties

Compound Name2-(7-chloro-8-methylquinolin-4-yl)oxyacetonitrile
PubChem CID53269576
Molecular FormulaC12H9ClN2O
Molecular Weight232.67 g/mol
Exact Mass232.04
IUPAC Name2-(7-chloro-8-methylquinolin-4-yl)oxyacetonitrile
SMILESCc1c(Cl)ccc2c(OCC#N)ccnc12
InChIInChI=1S/C12H9ClN2O/c1-8-10(13)3-2-9-11(16-7-5-14)4-6-15-12(8)9/h2-4,6H,7H2,1H3
InChIKeyALTIWJKZGDCNKH-UHFFFAOYSA-N
XLogP3.10
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-8-methylquinolin-4-yl)oxyacetonitrile?
The IUPAC name of 2-(7-chloro-8-methylquinolin-4-yl)oxyacetonitrile (CID 53269576) is 2-(7-chloro-8-methylquinolin-4-yl)oxyacetonitrile.
What is the SMILES notation for 2-(7-chloro-8-methylquinolin-4-yl)oxyacetonitrile?
The canonical SMILES for 2-(7-chloro-8-methylquinolin-4-yl)oxyacetonitrile is Cc1c(Cl)ccc2c(OCC#N)ccnc12.
What is the InChIKey of 2-(7-chloro-8-methylquinolin-4-yl)oxyacetonitrile?
The InChIKey is ALTIWJKZGDCNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O/c1-8-10(13)3-2-9-11(16-7-5-14)4-6-15-12(8)9/h2-4,6H,7H2,1H3.
What are the key properties of 2-(7-chloro-8-methylquinolin-4-yl)oxyacetonitrile?
2-(7-chloro-8-methylquinolin-4-yl)oxyacetonitrile has a molecular weight of 232.67 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-8-methylquinolin-4-yl)oxyacetonitrile is sourced from PubChem (CID 53269576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).