6,8-dichloro-4-methylquinoline;ethane

C14H19Cl2N — CID 177201180

IUPAC6,8-dichloro-4-methylquinoline;ethane
SMILESCC.CC.Cc1ccnc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C10H7Cl2N.2C2H6/c1-6-2-3-13-10-8(6)4-7(11)5-9(10)12;2*1-2/h2-5H,1H3;2*1-2H3
InChIKeyJSZZJNJAYIFNFU-UHFFFAOYSA-N
MW272.22 g/mol
LogP5.90
Rot. Bonds

About 6,8-dichloro-4-methylquinoline;ethane

6,8-dichloro-4-methylquinoline;ethane (PubChem CID 177201180) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is 6,8-dichloro-4-methylquinoline;ethane.

Molecular Properties

Compound Name6,8-dichloro-4-methylquinoline;ethane
PubChem CID177201180
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC Name6,8-dichloro-4-methylquinoline;ethane
SMILESCC.CC.Cc1ccnc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C10H7Cl2N.2C2H6/c1-6-2-3-13-10-8(6)4-7(11)5-9(10)12;2*1-2/h2-5H,1H3;2*1-2H3
InChIKeyJSZZJNJAYIFNFU-UHFFFAOYSA-N
XLogP5.90
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.22
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-4-methylquinoline;ethane?
The IUPAC name of 6,8-dichloro-4-methylquinoline;ethane (CID 177201180) is 6,8-dichloro-4-methylquinoline;ethane.
What is the SMILES notation for 6,8-dichloro-4-methylquinoline;ethane?
The canonical SMILES for 6,8-dichloro-4-methylquinoline;ethane is CC.CC.Cc1ccnc2c(Cl)cc(Cl)cc12.
What is the InChIKey of 6,8-dichloro-4-methylquinoline;ethane?
The InChIKey is JSZZJNJAYIFNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N.2C2H6/c1-6-2-3-13-10-8(6)4-7(11)5-9(10)12;2*1-2/h2-5H,1H3;2*1-2H3.
What are the key properties of 6,8-dichloro-4-methylquinoline;ethane?
6,8-dichloro-4-methylquinoline;ethane has a molecular weight of 272.22 g/mol, XLogP of 5.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-4-methylquinoline;ethane is sourced from PubChem (CID 177201180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).