5-chloro-2,8-dimethylquinoline-4-carbonitrile

C12H9ClN2 — CID 82573298

IUPAC5-chloro-2,8-dimethylquinoline-4-carbonitrile
SMILESCc1cc(C#N)c2c(Cl)ccc(C)c2n1
InChIInChI=1S/C12H9ClN2/c1-7-3-4-10(13)11-9(6-14)5-8(2)15-12(7)11/h3-5H,1-2H3
InChIKeyVRXHITDYHNGTKT-UHFFFAOYSA-N
MW216.67 g/mol
LogP3.38
Rot. Bonds

About 5-chloro-2,8-dimethylquinoline-4-carbonitrile

5-chloro-2,8-dimethylquinoline-4-carbonitrile (PubChem CID 82573298) has the molecular formula C12H9ClN2 and a molecular weight of 216.67 g/mol. Its IUPAC name is 5-chloro-2,8-dimethylquinoline-4-carbonitrile.

Molecular Properties

Compound Name5-chloro-2,8-dimethylquinoline-4-carbonitrile
PubChem CID82573298
Molecular FormulaC12H9ClN2
Molecular Weight216.67 g/mol
Exact Mass216.05
IUPAC Name5-chloro-2,8-dimethylquinoline-4-carbonitrile
SMILESCc1cc(C#N)c2c(Cl)ccc(C)c2n1
InChIInChI=1S/C12H9ClN2/c1-7-3-4-10(13)11-9(6-14)5-8(2)15-12(7)11/h3-5H,1-2H3
InChIKeyVRXHITDYHNGTKT-UHFFFAOYSA-N
XLogP3.38
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,8-dimethylquinoline-4-carbonitrile?
The IUPAC name of 5-chloro-2,8-dimethylquinoline-4-carbonitrile (CID 82573298) is 5-chloro-2,8-dimethylquinoline-4-carbonitrile.
What is the SMILES notation for 5-chloro-2,8-dimethylquinoline-4-carbonitrile?
The canonical SMILES for 5-chloro-2,8-dimethylquinoline-4-carbonitrile is Cc1cc(C#N)c2c(Cl)ccc(C)c2n1.
What is the InChIKey of 5-chloro-2,8-dimethylquinoline-4-carbonitrile?
The InChIKey is VRXHITDYHNGTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2/c1-7-3-4-10(13)11-9(6-14)5-8(2)15-12(7)11/h3-5H,1-2H3.
What are the key properties of 5-chloro-2,8-dimethylquinoline-4-carbonitrile?
5-chloro-2,8-dimethylquinoline-4-carbonitrile has a molecular weight of 216.67 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,8-dimethylquinoline-4-carbonitrile is sourced from PubChem (CID 82573298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).