4-(chloromethyl)-2,7-dimethylquinoline

C12H12ClN — CID 23001553

IUPAC4-(chloromethyl)-2,7-dimethylquinoline
SMILESCc1ccc2c(CCl)cc(C)nc2c1
InChIInChI=1S/C12H12ClN/c1-8-3-4-11-10(7-13)6-9(2)14-12(11)5-8/h3-6H,7H2,1-2H3
InChIKeyGIZSOISADUFHRK-UHFFFAOYSA-N
MW205.69 g/mol
LogP3.59
Rot. Bonds1

About 4-(chloromethyl)-2,7-dimethylquinoline

4-(chloromethyl)-2,7-dimethylquinoline (PubChem CID 23001553) has the molecular formula C12H12ClN and a molecular weight of 205.69 g/mol. Its IUPAC name is 4-(chloromethyl)-2,7-dimethylquinoline.

Molecular Properties

Compound Name4-(chloromethyl)-2,7-dimethylquinoline
PubChem CID23001553
Molecular FormulaC12H12ClN
Molecular Weight205.69 g/mol
Exact Mass205.07
IUPAC Name4-(chloromethyl)-2,7-dimethylquinoline
SMILESCc1ccc2c(CCl)cc(C)nc2c1
InChIInChI=1S/C12H12ClN/c1-8-3-4-11-10(7-13)6-9(2)14-12(11)5-8/h3-6H,7H2,1-2H3
InChIKeyGIZSOISADUFHRK-UHFFFAOYSA-N
XLogP3.59
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.69
LogP ≤ 53.59
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 4-(chloromethyl)-2,7-dimethylquinoline?
The IUPAC name of 4-(chloromethyl)-2,7-dimethylquinoline (CID 23001553) is 4-(chloromethyl)-2,7-dimethylquinoline.
What is the SMILES notation for 4-(chloromethyl)-2,7-dimethylquinoline?
The canonical SMILES for 4-(chloromethyl)-2,7-dimethylquinoline is Cc1ccc2c(CCl)cc(C)nc2c1.
What is the InChIKey of 4-(chloromethyl)-2,7-dimethylquinoline?
The InChIKey is GIZSOISADUFHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN/c1-8-3-4-11-10(7-13)6-9(2)14-12(11)5-8/h3-6H,7H2,1-2H3.
What are the key properties of 4-(chloromethyl)-2,7-dimethylquinoline?
4-(chloromethyl)-2,7-dimethylquinoline has a molecular weight of 205.69 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2,7-dimethylquinoline is sourced from PubChem (CID 23001553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).