6-bromo-5,8-dimethoxy-1,2,3,4-tetrahydroquinoline

C11H14BrNO2 — CID 119053876

IUPAC6-bromo-5,8-dimethoxy-1,2,3,4-tetrahydroquinoline
SMILESCOc1cc(Br)c(OC)c2c1NCCC2
InChIInChI=1S/C11H14BrNO2/c1-14-9-6-8(12)11(15-2)7-4-3-5-13-10(7)9/h6,13H,3-5H2,1-2H3
InChIKeyNWVBQDQVBOQCLE-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.82
Rot. Bonds2

About 6-bromo-5,8-dimethoxy-1,2,3,4-tetrahydroquinoline

6-bromo-5,8-dimethoxy-1,2,3,4-tetrahydroquinoline (PubChem CID 119053876) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 6-bromo-5,8-dimethoxy-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-bromo-5,8-dimethoxy-1,2,3,4-tetrahydroquinoline
PubChem CID119053876
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name6-bromo-5,8-dimethoxy-1,2,3,4-tetrahydroquinoline
SMILESCOc1cc(Br)c(OC)c2c1NCCC2
InChIInChI=1S/C11H14BrNO2/c1-14-9-6-8(12)11(15-2)7-4-3-5-13-10(7)9/h6,13H,3-5H2,1-2H3
InChIKeyNWVBQDQVBOQCLE-UHFFFAOYSA-N
XLogP2.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-bromo-5,8-dimethoxy-1,2,3,4-tetrahydroquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalene
CID 15354623
6,7-dimethoxy-4-methyl-2,3-dihydro-1H-indole
CID 105447156
8-bromo-6-methoxy-1,2,3,4-tetrahydroquinoline;hydrochloride
CID 121231740
7-bromo-1-chloro-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalene
CID 105057519
(1S)-7-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 105057486
(1S)-7-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 105057504
5-(2-chloroethyl)-8-methoxy-1,2,3,4-tetrahydroquinoline
CID 54084258
8-bromo-5-methyl-1,2,3,4-tetrahydroquinoline
CID 82008492
6-methoxy-9-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 82158148
8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[h]quinoline
CID 15402109
5-methoxy-4,7-dimethyl-2,3-dihydro-1H-indole
CID 22506880
6-bromo-5,8-dimethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 18976424

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5,8-dimethoxy-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-bromo-5,8-dimethoxy-1,2,3,4-tetrahydroquinoline (CID 119053876) is 6-bromo-5,8-dimethoxy-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-bromo-5,8-dimethoxy-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-bromo-5,8-dimethoxy-1,2,3,4-tetrahydroquinoline is COc1cc(Br)c(OC)c2c1NCCC2.
What is the InChIKey of 6-bromo-5,8-dimethoxy-1,2,3,4-tetrahydroquinoline?
The InChIKey is NWVBQDQVBOQCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-14-9-6-8(12)11(15-2)7-4-3-5-13-10(7)9/h6,13H,3-5H2,1-2H3.
What are the key properties of 6-bromo-5,8-dimethoxy-1,2,3,4-tetrahydroquinoline?
6-bromo-5,8-dimethoxy-1,2,3,4-tetrahydroquinoline has a molecular weight of 272.14 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5,8-dimethoxy-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 119053876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).