2-chloro-3,7-dimethylquinoline

C11H10ClN — CID 848552

IUPAC2-chloro-3,7-dimethylquinoline
SMILESCc1ccc2cc(C)c(Cl)nc2c1
InChIInChI=1S/C11H10ClN/c1-7-3-4-9-6-8(2)11(12)13-10(9)5-7/h3-6H,1-2H3
InChIKeyVRCFMOSCDFQGJA-UHFFFAOYSA-N
MW191.66 g/mol
LogP3.51
Rot. Bonds

About 2-chloro-3,7-dimethylquinoline

2-chloro-3,7-dimethylquinoline (PubChem CID 848552) has the molecular formula C11H10ClN and a molecular weight of 191.66 g/mol. Its IUPAC name is 2-chloro-3,7-dimethylquinoline.

Molecular Properties

Compound Name2-chloro-3,7-dimethylquinoline
PubChem CID848552
Molecular FormulaC11H10ClN
Molecular Weight191.66 g/mol
Exact Mass191.05
IUPAC Name2-chloro-3,7-dimethylquinoline
SMILESCc1ccc2cc(C)c(Cl)nc2c1
InChIInChI=1S/C11H10ClN/c1-7-3-4-9-6-8(2)11(12)13-10(9)5-7/h3-6H,1-2H3
InChIKeyVRCFMOSCDFQGJA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,7-dimethylquinoline?
The IUPAC name of 2-chloro-3,7-dimethylquinoline (CID 848552) is 2-chloro-3,7-dimethylquinoline.
What is the SMILES notation for 2-chloro-3,7-dimethylquinoline?
The canonical SMILES for 2-chloro-3,7-dimethylquinoline is Cc1ccc2cc(C)c(Cl)nc2c1.
What is the InChIKey of 2-chloro-3,7-dimethylquinoline?
The InChIKey is VRCFMOSCDFQGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN/c1-7-3-4-9-6-8(2)11(12)13-10(9)5-7/h3-6H,1-2H3.
What are the key properties of 2-chloro-3,7-dimethylquinoline?
2-chloro-3,7-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 2-chloro-3,7-dimethylquinoline is sourced from PubChem (CID 848552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).