6,8-dichloro-2-methylquinoline-4-carbonitrile

C11H6Cl2N2 — CID 82449362

IUPAC6,8-dichloro-2-methylquinoline-4-carbonitrile
SMILESCc1cc(C#N)c2cc(Cl)cc(Cl)c2n1
InChIInChI=1S/C11H6Cl2N2/c1-6-2-7(5-14)9-3-8(12)4-10(13)11(9)15-6/h2-4H,1H3
InChIKeyZGAYKZGQSGJJOX-UHFFFAOYSA-N
MW237.09 g/mol
LogP3.72
Rot. Bonds

About 6,8-dichloro-2-methylquinoline-4-carbonitrile

6,8-dichloro-2-methylquinoline-4-carbonitrile (PubChem CID 82449362) has the molecular formula C11H6Cl2N2 and a molecular weight of 237.09 g/mol. Its IUPAC name is 6,8-dichloro-2-methylquinoline-4-carbonitrile.

Molecular Properties

Compound Name6,8-dichloro-2-methylquinoline-4-carbonitrile
PubChem CID82449362
Molecular FormulaC11H6Cl2N2
Molecular Weight237.09 g/mol
Exact Mass235.99
IUPAC Name6,8-dichloro-2-methylquinoline-4-carbonitrile
SMILESCc1cc(C#N)c2cc(Cl)cc(Cl)c2n1
InChIInChI=1S/C11H6Cl2N2/c1-6-2-7(5-14)9-3-8(12)4-10(13)11(9)15-6/h2-4H,1H3
InChIKeyZGAYKZGQSGJJOX-UHFFFAOYSA-N
XLogP3.72
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.09
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-2-methylquinoline-4-carbonitrile?
The IUPAC name of 6,8-dichloro-2-methylquinoline-4-carbonitrile (CID 82449362) is 6,8-dichloro-2-methylquinoline-4-carbonitrile.
What is the SMILES notation for 6,8-dichloro-2-methylquinoline-4-carbonitrile?
The canonical SMILES for 6,8-dichloro-2-methylquinoline-4-carbonitrile is Cc1cc(C#N)c2cc(Cl)cc(Cl)c2n1.
What is the InChIKey of 6,8-dichloro-2-methylquinoline-4-carbonitrile?
The InChIKey is ZGAYKZGQSGJJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N2/c1-6-2-7(5-14)9-3-8(12)4-10(13)11(9)15-6/h2-4H,1H3.
What are the key properties of 6,8-dichloro-2-methylquinoline-4-carbonitrile?
6,8-dichloro-2-methylquinoline-4-carbonitrile has a molecular weight of 237.09 g/mol, XLogP of 3.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-2-methylquinoline-4-carbonitrile is sourced from PubChem (CID 82449362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).