8-bromo-2-ethyl-2,3,4-trimethyl-3,4-dihydro-1H-quinoline

C14H20BrN — CID 117193938

IUPAC8-bromo-2-ethyl-2,3,4-trimethyl-3,4-dihydro-1H-quinoline
SMILESCCC1(C)Nc2c(Br)cccc2C(C)C1C
InChIInChI=1S/C14H20BrN/c1-5-14(4)10(3)9(2)11-7-6-8-12(15)13(11)16-14/h6-10,16H,5H2,1-4H3
InChIKeyHJDQUJLGUPSNJN-UHFFFAOYSA-N
MW282.22 g/mol
LogP4.78
Rot. Bonds1

About 8-bromo-2-ethyl-2,3,4-trimethyl-3,4-dihydro-1H-quinoline

8-bromo-2-ethyl-2,3,4-trimethyl-3,4-dihydro-1H-quinoline (PubChem CID 117193938) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is 8-bromo-2-ethyl-2,3,4-trimethyl-3,4-dihydro-1H-quinoline.

Molecular Properties

Compound Name8-bromo-2-ethyl-2,3,4-trimethyl-3,4-dihydro-1H-quinoline
PubChem CID117193938
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC Name8-bromo-2-ethyl-2,3,4-trimethyl-3,4-dihydro-1H-quinoline
SMILESCCC1(C)Nc2c(Br)cccc2C(C)C1C
InChIInChI=1S/C14H20BrN/c1-5-14(4)10(3)9(2)11-7-6-8-12(15)13(11)16-14/h6-10,16H,5H2,1-4H3
InChIKeyHJDQUJLGUPSNJN-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-ethyl-2,3,4-trimethyl-3,4-dihydro-1H-quinoline?
The IUPAC name of 8-bromo-2-ethyl-2,3,4-trimethyl-3,4-dihydro-1H-quinoline (CID 117193938) is 8-bromo-2-ethyl-2,3,4-trimethyl-3,4-dihydro-1H-quinoline.
What is the SMILES notation for 8-bromo-2-ethyl-2,3,4-trimethyl-3,4-dihydro-1H-quinoline?
The canonical SMILES for 8-bromo-2-ethyl-2,3,4-trimethyl-3,4-dihydro-1H-quinoline is CCC1(C)Nc2c(Br)cccc2C(C)C1C.
What is the InChIKey of 8-bromo-2-ethyl-2,3,4-trimethyl-3,4-dihydro-1H-quinoline?
The InChIKey is HJDQUJLGUPSNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-5-14(4)10(3)9(2)11-7-6-8-12(15)13(11)16-14/h6-10,16H,5H2,1-4H3.
What are the key properties of 8-bromo-2-ethyl-2,3,4-trimethyl-3,4-dihydro-1H-quinoline?
8-bromo-2-ethyl-2,3,4-trimethyl-3,4-dihydro-1H-quinoline has a molecular weight of 282.22 g/mol, XLogP of 4.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-ethyl-2,3,4-trimethyl-3,4-dihydro-1H-quinoline is sourced from PubChem (CID 117193938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).