7-chloro-2,4-dimethylquinoline

C11H10ClN — CID 605770

IUPAC7-chloro-2,4-dimethylquinoline
SMILESCc1cc(C)c2ccc(Cl)cc2n1
InChIInChI=1S/C11H10ClN/c1-7-5-8(2)13-11-6-9(12)3-4-10(7)11/h3-6H,1-2H3
InChIKeyZUQZYIPMTITDFX-UHFFFAOYSA-N
MW191.66 g/mol
LogP3.51
Rot. Bonds

About 7-chloro-2,4-dimethylquinoline

7-chloro-2,4-dimethylquinoline (PubChem CID 605770) has the molecular formula C11H10ClN and a molecular weight of 191.66 g/mol. Its IUPAC name is 7-chloro-2,4-dimethylquinoline.

Molecular Properties

Compound Name7-chloro-2,4-dimethylquinoline
PubChem CID605770
Molecular FormulaC11H10ClN
Molecular Weight191.66 g/mol
Exact Mass191.05
IUPAC Name7-chloro-2,4-dimethylquinoline
SMILESCc1cc(C)c2ccc(Cl)cc2n1
InChIInChI=1S/C11H10ClN/c1-7-5-8(2)13-11-6-9(12)3-4-10(7)11/h3-6H,1-2H3
InChIKeyZUQZYIPMTITDFX-UHFFFAOYSA-N
XLogP3.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,4-dimethylquinoline?
The IUPAC name of 7-chloro-2,4-dimethylquinoline (CID 605770) is 7-chloro-2,4-dimethylquinoline.
What is the SMILES notation for 7-chloro-2,4-dimethylquinoline?
The canonical SMILES for 7-chloro-2,4-dimethylquinoline is Cc1cc(C)c2ccc(Cl)cc2n1.
What is the InChIKey of 7-chloro-2,4-dimethylquinoline?
The InChIKey is ZUQZYIPMTITDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN/c1-7-5-8(2)13-11-6-9(12)3-4-10(7)11/h3-6H,1-2H3.
What are the key properties of 7-chloro-2,4-dimethylquinoline?
7-chloro-2,4-dimethylquinoline has a molecular weight of 191.66 g/mol, XLogP of 3.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,4-dimethylquinoline is sourced from PubChem (CID 605770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).