6-bromo-2,2,3,4-tetramethyl-3,4-dihydro-1H-quinoline

C13H18BrN — CID 117193854

IUPAC6-bromo-2,2,3,4-tetramethyl-3,4-dihydro-1H-quinoline
SMILESCC1c2cc(Br)ccc2NC(C)(C)C1C
InChIInChI=1S/C13H18BrN/c1-8-9(2)13(3,4)15-12-6-5-10(14)7-11(8)12/h5-9,15H,1-4H3
InChIKeyTYAQYFMKQOMGLV-UHFFFAOYSA-N
MW268.20 g/mol
LogP4.39
Rot. Bonds

About 6-bromo-2,2,3,4-tetramethyl-3,4-dihydro-1H-quinoline

6-bromo-2,2,3,4-tetramethyl-3,4-dihydro-1H-quinoline (PubChem CID 117193854) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is 6-bromo-2,2,3,4-tetramethyl-3,4-dihydro-1H-quinoline.

Molecular Properties

Compound Name6-bromo-2,2,3,4-tetramethyl-3,4-dihydro-1H-quinoline
PubChem CID117193854
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC Name6-bromo-2,2,3,4-tetramethyl-3,4-dihydro-1H-quinoline
SMILESCC1c2cc(Br)ccc2NC(C)(C)C1C
InChIInChI=1S/C13H18BrN/c1-8-9(2)13(3,4)15-12-6-5-10(14)7-11(8)12/h5-9,15H,1-4H3
InChIKeyTYAQYFMKQOMGLV-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-chloro-2,2,3,4-tetramethyl-3,4-dihydro-1H-quinoline
CID 117193853
2,2,3,4-tetramethyl-3,4-dihydro-1H-quinoline
CID 59233372
6-bromo-2,2,3-trimethyl-3,4-dihydro-1H-quinoline
CID 117193851
N-acetyl-N-(6-bromo-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)acetamide
CID 22496619
2,2,3,5-tetramethyl-1,3-dihydroindole
CID 117193754
5-bromo-3-(5-bromo-3-methyl-2,3-dihydro-1H-indol-2-yl)-1H-indole
CID 123956330
2,7-dibromo-9,9-dimethyl-10H-acridine
CID 67414167
(3S)-5-bromo-3-hydroxy-1,3-dihydroindol-2-one
CID 714172
6-bromo-2,2-dimethyl-3,4-dihydro-1H-quinoline
CID 18620064
(3R)-5-bromo-3-methyl-2,3-dihydroisoindol-1-one
CID 146160555
7-bromo-5-hydroxy-4-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 123380087
4-bromo-9,10,13-trimethyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-11-thione
CID 106460832

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,2,3,4-tetramethyl-3,4-dihydro-1H-quinoline?
The IUPAC name of 6-bromo-2,2,3,4-tetramethyl-3,4-dihydro-1H-quinoline (CID 117193854) is 6-bromo-2,2,3,4-tetramethyl-3,4-dihydro-1H-quinoline.
What is the SMILES notation for 6-bromo-2,2,3,4-tetramethyl-3,4-dihydro-1H-quinoline?
The canonical SMILES for 6-bromo-2,2,3,4-tetramethyl-3,4-dihydro-1H-quinoline is CC1c2cc(Br)ccc2NC(C)(C)C1C.
What is the InChIKey of 6-bromo-2,2,3,4-tetramethyl-3,4-dihydro-1H-quinoline?
The InChIKey is TYAQYFMKQOMGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN/c1-8-9(2)13(3,4)15-12-6-5-10(14)7-11(8)12/h5-9,15H,1-4H3.
What are the key properties of 6-bromo-2,2,3,4-tetramethyl-3,4-dihydro-1H-quinoline?
6-bromo-2,2,3,4-tetramethyl-3,4-dihydro-1H-quinoline has a molecular weight of 268.20 g/mol, XLogP of 4.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,2,3,4-tetramethyl-3,4-dihydro-1H-quinoline is sourced from PubChem (CID 117193854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).