6-chloro-2,7-dimethyl-6,7-dihydroquinoline

C11H12ClN — CID 89003705

IUPAC6-chloro-2,7-dimethyl-6,7-dihydroquinoline
SMILESCc1ccc2c(n1)=CC(C)C(Cl)C=2
InChIInChI=1S/C11H12ClN/c1-7-5-11-9(6-10(7)12)4-3-8(2)13-11/h3-7,10H,1-2H3
InChIKeyLMNYFLYFGBZHDF-UHFFFAOYSA-N
MW193.68 g/mol
LogP1.21
Rot. Bonds

About 6-chloro-2,7-dimethyl-6,7-dihydroquinoline

6-chloro-2,7-dimethyl-6,7-dihydroquinoline (PubChem CID 89003705) has the molecular formula C11H12ClN and a molecular weight of 193.68 g/mol. Its IUPAC name is 6-chloro-2,7-dimethyl-6,7-dihydroquinoline.

Molecular Properties

Compound Name6-chloro-2,7-dimethyl-6,7-dihydroquinoline
PubChem CID89003705
Molecular FormulaC11H12ClN
Molecular Weight193.68 g/mol
Exact Mass193.07
IUPAC Name6-chloro-2,7-dimethyl-6,7-dihydroquinoline
SMILESCc1ccc2c(n1)=CC(C)C(Cl)C=2
InChIInChI=1S/C11H12ClN/c1-7-5-11-9(6-10(7)12)4-3-8(2)13-11/h3-7,10H,1-2H3
InChIKeyLMNYFLYFGBZHDF-UHFFFAOYSA-N
XLogP1.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.68
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,7-dimethyl-6,7-dihydroquinoline?
The IUPAC name of 6-chloro-2,7-dimethyl-6,7-dihydroquinoline (CID 89003705) is 6-chloro-2,7-dimethyl-6,7-dihydroquinoline.
What is the SMILES notation for 6-chloro-2,7-dimethyl-6,7-dihydroquinoline?
The canonical SMILES for 6-chloro-2,7-dimethyl-6,7-dihydroquinoline is Cc1ccc2c(n1)=CC(C)C(Cl)C=2.
What is the InChIKey of 6-chloro-2,7-dimethyl-6,7-dihydroquinoline?
The InChIKey is LMNYFLYFGBZHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN/c1-7-5-11-9(6-10(7)12)4-3-8(2)13-11/h3-7,10H,1-2H3.
What are the key properties of 6-chloro-2,7-dimethyl-6,7-dihydroquinoline?
6-chloro-2,7-dimethyl-6,7-dihydroquinoline has a molecular weight of 193.68 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,7-dimethyl-6,7-dihydroquinoline is sourced from PubChem (CID 89003705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).