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

C11H6Cl2N2 — CID 82573278

IUPAC6,8-dichloro-4-methylquinoline-2-carbonitrile
SMILESCc1cc(C#N)nc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C11H6Cl2N2/c1-6-2-8(5-14)15-11-9(6)3-7(12)4-10(11)13/h2-4H,1H3
InChIKeyCKVHNZMSFZNRAM-UHFFFAOYSA-N
MW237.09 g/mol
LogP3.72
Rot. Bonds

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

6,8-dichloro-4-methylquinoline-2-carbonitrile (PubChem CID 82573278) has the molecular formula C11H6Cl2N2 and a molecular weight of 237.09 g/mol. Its IUPAC name is 6,8-dichloro-4-methylquinoline-2-carbonitrile.

Molecular Properties

Compound Name6,8-dichloro-4-methylquinoline-2-carbonitrile
PubChem CID82573278
Molecular FormulaC11H6Cl2N2
Molecular Weight237.09 g/mol
Exact Mass235.99
IUPAC Name6,8-dichloro-4-methylquinoline-2-carbonitrile
SMILESCc1cc(C#N)nc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C11H6Cl2N2/c1-6-2-8(5-14)15-11-9(6)3-7(12)4-10(11)13/h2-4H,1H3
InChIKeyCKVHNZMSFZNRAM-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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Related Compounds

6,8-dichloro-2-methylquinoline-4-carbonitrile
CID 82449362
(6,8-dichloro-4-methylquinolin-2-yl)methanamine
CID 82573654
5-chloro-4-(dimethylamino)-8-methylquinoline-2-carbonitrile
CID 82244207
4,6,8-trichloro-2,3-dimethylquinoline
CID 63409062
3-(6,8-dichloro-4-methylquinolin-2-yl)propane-1,2-diol
CID 22294924
6,8-dichloro-4-methylquinoline;ethane
CID 177201451
6,8-dichloro-4-methylquinoline;ethane
CID 177201180
8-bromo-6-chloro-2,4-dimethylquinoline
CID 82580896
6-chloro-8-methyl-2-propan-2-ylquinoline-4-carbonitrile
CID 82449599
3-bromo-4,6,8-trichloro-2-methylquinoline
CID 121236219
4,7,8-trichloroquinoline-2-carbonitrile
CID 146674031
2,3,4,6,8-pentachloroquinoline
CID 97181861

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-4-methylquinoline-2-carbonitrile?
The IUPAC name of 6,8-dichloro-4-methylquinoline-2-carbonitrile (CID 82573278) is 6,8-dichloro-4-methylquinoline-2-carbonitrile.
What is the SMILES notation for 6,8-dichloro-4-methylquinoline-2-carbonitrile?
The canonical SMILES for 6,8-dichloro-4-methylquinoline-2-carbonitrile is Cc1cc(C#N)nc2c(Cl)cc(Cl)cc12.
What is the InChIKey of 6,8-dichloro-4-methylquinoline-2-carbonitrile?
The InChIKey is CKVHNZMSFZNRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N2/c1-6-2-8(5-14)15-11-9(6)3-7(12)4-10(11)13/h2-4H,1H3.
What are the key properties of 6,8-dichloro-4-methylquinoline-2-carbonitrile?
6,8-dichloro-4-methylquinoline-2-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-4-methylquinoline-2-carbonitrile is sourced from PubChem (CID 82573278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).