7-bromo-2-ethyl-2,3-dimethyl-3,4-dihydro-1H-quinoline

C13H18BrN — CID 117193897

IUPAC7-bromo-2-ethyl-2,3-dimethyl-3,4-dihydro-1H-quinoline
SMILESCCC1(C)Nc2cc(Br)ccc2CC1C
InChIInChI=1S/C13H18BrN/c1-4-13(3)9(2)7-10-5-6-11(14)8-12(10)15-13/h5-6,8-9,15H,4,7H2,1-3H3
InChIKeyRYZQNSLSGJSHTP-UHFFFAOYSA-N
MW268.20 g/mol
LogP4.22
Rot. Bonds1

About 7-bromo-2-ethyl-2,3-dimethyl-3,4-dihydro-1H-quinoline

7-bromo-2-ethyl-2,3-dimethyl-3,4-dihydro-1H-quinoline (PubChem CID 117193897) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is 7-bromo-2-ethyl-2,3-dimethyl-3,4-dihydro-1H-quinoline.

Molecular Properties

Compound Name7-bromo-2-ethyl-2,3-dimethyl-3,4-dihydro-1H-quinoline
PubChem CID117193897
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC Name7-bromo-2-ethyl-2,3-dimethyl-3,4-dihydro-1H-quinoline
SMILESCCC1(C)Nc2cc(Br)ccc2CC1C
InChIInChI=1S/C13H18BrN/c1-4-13(3)9(2)7-10-5-6-11(14)8-12(10)15-13/h5-6,8-9,15H,4,7H2,1-3H3
InChIKeyRYZQNSLSGJSHTP-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 7-bromo-2-ethyl-2,3-dimethyl-3,4-dihydro-1H-quinoline with MolForge

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Launch Full Analysis

Related Compounds

2-ethyl-2,3-dimethyl-7-(trifluoromethyl)-3,4-dihydro-1H-quinoline
CID 117193878
6-bromo-2,2,3-trimethyl-3,4-dihydro-1H-quinoline
CID 117193851
(2R,3R)-7-bromo-2-methyl-1,2,3,4-tetrahydroquinolin-3-ol
CID 126662449
(6-bromo-2,3-dihydro-1H-indol-2-yl)methanol
CID 83918189
(3S)-6-bromo-3-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 155921000
methyl 6-bromo-2-ethyl-1,3-dihydroindole-2-carboxylate
CID 117193354
7-bromo-2-methyl-1,2,3,4-tetrahydroquinoline
CID 70875781
methyl 7-bromo-2-ethyl-3,4-dihydro-1H-quinoline-2-carboxylate
CID 117193468
6-bromo-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene
CID 162045632
6-bromo-3-(bromomethyl)-1,2,3,4-tetrahydroisoquinoline
CID 133054244
8-bromo-3-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 84728011
2-ethyl-2,3,6-trimethyl-1,3-dihydroindole
CID 117193770

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-ethyl-2,3-dimethyl-3,4-dihydro-1H-quinoline?
The IUPAC name of 7-bromo-2-ethyl-2,3-dimethyl-3,4-dihydro-1H-quinoline (CID 117193897) is 7-bromo-2-ethyl-2,3-dimethyl-3,4-dihydro-1H-quinoline.
What is the SMILES notation for 7-bromo-2-ethyl-2,3-dimethyl-3,4-dihydro-1H-quinoline?
The canonical SMILES for 7-bromo-2-ethyl-2,3-dimethyl-3,4-dihydro-1H-quinoline is CCC1(C)Nc2cc(Br)ccc2CC1C.
What is the InChIKey of 7-bromo-2-ethyl-2,3-dimethyl-3,4-dihydro-1H-quinoline?
The InChIKey is RYZQNSLSGJSHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN/c1-4-13(3)9(2)7-10-5-6-11(14)8-12(10)15-13/h5-6,8-9,15H,4,7H2,1-3H3.
What are the key properties of 7-bromo-2-ethyl-2,3-dimethyl-3,4-dihydro-1H-quinoline?
7-bromo-2-ethyl-2,3-dimethyl-3,4-dihydro-1H-quinoline has a molecular weight of 268.20 g/mol, XLogP of 4.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-ethyl-2,3-dimethyl-3,4-dihydro-1H-quinoline is sourced from PubChem (CID 117193897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).