4,7-dichloro-2,3,6-trimethylquinoline

C12H11Cl2N — CID 104722009

IUPAC4,7-dichloro-2,3,6-trimethylquinoline
SMILESCc1cc2c(Cl)c(C)c(C)nc2cc1Cl
InChIInChI=1S/C12H11Cl2N/c1-6-4-9-11(5-10(6)13)15-8(3)7(2)12(9)14/h4-5H,1-3H3
InChIKeyDLJUSLUPURJHJT-UHFFFAOYSA-N
MW240.13 g/mol
LogP4.47
Rot. Bonds

About 4,7-dichloro-2,3,6-trimethylquinoline

4,7-dichloro-2,3,6-trimethylquinoline (PubChem CID 104722009) has the molecular formula C12H11Cl2N and a molecular weight of 240.13 g/mol. Its IUPAC name is 4,7-dichloro-2,3,6-trimethylquinoline.

Molecular Properties

Compound Name4,7-dichloro-2,3,6-trimethylquinoline
PubChem CID104722009
Molecular FormulaC12H11Cl2N
Molecular Weight240.13 g/mol
Exact Mass239.03
IUPAC Name4,7-dichloro-2,3,6-trimethylquinoline
SMILESCc1cc2c(Cl)c(C)c(C)nc2cc1Cl
InChIInChI=1S/C12H11Cl2N/c1-6-4-9-11(5-10(6)13)15-8(3)7(2)12(9)14/h4-5H,1-3H3
InChIKeyDLJUSLUPURJHJT-UHFFFAOYSA-N
XLogP4.47
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.13
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-7-fluoro-6-methoxy-2,3-dimethylquinoline
CID 103996653
4-chloro-3-ethyl-7-fluoro-2,6-dimethylquinoline
CID 103996076
6-chloro-5-fluoro-2,3-dimethylquinoline;ethane
CID 177017016
4,6,8-trichloro-2,3-dimethylquinoline
CID 63409062
4-chloro-7-methoxy-2,3,6-trimethylquinoline;7-methoxy-2,3,6-trimethyl-1H-quinolin-4-one
CID 161424987
4-chloro-2,3-dimethyl-6-pyrrolidin-1-ylquinoline
CID 63180046
7-chloro-3-ethyl-2,6-dimethyl-N-propylquinolin-4-amine
CID 104722062
(7-chloro-3,6-dimethyl-2-phenylquinolin-4-yl)hydrazine
CID 104847236
6-bromo-4-chloro-2,3,5,7-tetramethylquinoline
CID 107577474
7-chloro-N,3,6-trimethyl-2-(trifluoromethyl)quinolin-4-amine
CID 104722067
7-chloro-4-methoxy-6-methylquinoline-2-carboxylic acid
CID 102942140
6-chloro-3-iodo-5-methyl-2H-indazole
CID 74888467

Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-2,3,6-trimethylquinoline?
The IUPAC name of 4,7-dichloro-2,3,6-trimethylquinoline (CID 104722009) is 4,7-dichloro-2,3,6-trimethylquinoline.
What is the SMILES notation for 4,7-dichloro-2,3,6-trimethylquinoline?
The canonical SMILES for 4,7-dichloro-2,3,6-trimethylquinoline is Cc1cc2c(Cl)c(C)c(C)nc2cc1Cl.
What is the InChIKey of 4,7-dichloro-2,3,6-trimethylquinoline?
The InChIKey is DLJUSLUPURJHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N/c1-6-4-9-11(5-10(6)13)15-8(3)7(2)12(9)14/h4-5H,1-3H3.
What are the key properties of 4,7-dichloro-2,3,6-trimethylquinoline?
4,7-dichloro-2,3,6-trimethylquinoline has a molecular weight of 240.13 g/mol, XLogP of 4.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-2,3,6-trimethylquinoline is sourced from PubChem (CID 104722009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).