6-ethyl-2,2,4-trimethyl-1H-quinoline

C14H19N — CID 659388

IUPAC6-ethyl-2,2,4-trimethyl-1H-quinoline
SMILESCCc1ccc2c(c1)C(C)=CC(C)(C)N2
InChIInChI=1S/C14H19N/c1-5-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h6-9,15H,5H2,1-4H3
InChIKeyYZPJUVSKXVLDHD-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.86
Rot. Bonds1

About 6-ethyl-2,2,4-trimethyl-1H-quinoline

6-ethyl-2,2,4-trimethyl-1H-quinoline (PubChem CID 659388) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 6-ethyl-2,2,4-trimethyl-1H-quinoline.

Molecular Properties

Compound Name6-ethyl-2,2,4-trimethyl-1H-quinoline
PubChem CID659388
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name6-ethyl-2,2,4-trimethyl-1H-quinoline
SMILESCCc1ccc2c(c1)C(C)=CC(C)(C)N2
InChIInChI=1S/C14H19N/c1-5-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h6-9,15H,5H2,1-4H3
InChIKeyYZPJUVSKXVLDHD-UHFFFAOYSA-N
XLogP3.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,2,4-trimethyl-1H-quinoline?
The IUPAC name of 6-ethyl-2,2,4-trimethyl-1H-quinoline (CID 659388) is 6-ethyl-2,2,4-trimethyl-1H-quinoline.
What is the SMILES notation for 6-ethyl-2,2,4-trimethyl-1H-quinoline?
The canonical SMILES for 6-ethyl-2,2,4-trimethyl-1H-quinoline is CCc1ccc2c(c1)C(C)=CC(C)(C)N2.
What is the InChIKey of 6-ethyl-2,2,4-trimethyl-1H-quinoline?
The InChIKey is YZPJUVSKXVLDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-5-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h6-9,15H,5H2,1-4H3.
What are the key properties of 6-ethyl-2,2,4-trimethyl-1H-quinoline?
6-ethyl-2,2,4-trimethyl-1H-quinoline has a molecular weight of 201.31 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,2,4-trimethyl-1H-quinoline is sourced from PubChem (CID 659388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).