2-chloro-3-ethyl-8-methylquinoline

C12H12ClN — CID 18523984

IUPAC2-chloro-3-ethyl-8-methylquinoline
SMILESCCc1cc2cccc(C)c2nc1Cl
InChIInChI=1S/C12H12ClN/c1-3-9-7-10-6-4-5-8(2)11(10)14-12(9)13/h4-7H,3H2,1-2H3
InChIKeyUWYOLSCCWFXYRG-UHFFFAOYSA-N
MW205.69 g/mol
LogP3.76
Rot. Bonds1

About 2-chloro-3-ethyl-8-methylquinoline

2-chloro-3-ethyl-8-methylquinoline (PubChem CID 18523984) has the molecular formula C12H12ClN and a molecular weight of 205.69 g/mol. Its IUPAC name is 2-chloro-3-ethyl-8-methylquinoline.

Molecular Properties

Compound Name2-chloro-3-ethyl-8-methylquinoline
PubChem CID18523984
Molecular FormulaC12H12ClN
Molecular Weight205.69 g/mol
Exact Mass205.07
IUPAC Name2-chloro-3-ethyl-8-methylquinoline
SMILESCCc1cc2cccc(C)c2nc1Cl
InChIInChI=1S/C12H12ClN/c1-3-9-7-10-6-4-5-8(2)11(10)14-12(9)13/h4-7H,3H2,1-2H3
InChIKeyUWYOLSCCWFXYRG-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
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-ethyl-8-methylquinoline?
The IUPAC name of 2-chloro-3-ethyl-8-methylquinoline (CID 18523984) is 2-chloro-3-ethyl-8-methylquinoline.
What is the SMILES notation for 2-chloro-3-ethyl-8-methylquinoline?
The canonical SMILES for 2-chloro-3-ethyl-8-methylquinoline is CCc1cc2cccc(C)c2nc1Cl.
What is the InChIKey of 2-chloro-3-ethyl-8-methylquinoline?
The InChIKey is UWYOLSCCWFXYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN/c1-3-9-7-10-6-4-5-8(2)11(10)14-12(9)13/h4-7H,3H2,1-2H3.
What are the key properties of 2-chloro-3-ethyl-8-methylquinoline?
2-chloro-3-ethyl-8-methylquinoline has a molecular weight of 205.69 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-ethyl-8-methylquinoline is sourced from PubChem (CID 18523984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).