7-bromo-1,2,3,4,5,6-hexahydroquinoline

C9H12BrN — CID 177010542

IUPAC7-bromo-1,2,3,4,5,6-hexahydroquinoline
SMILESBrC1=CC2=C(CCCN2)CC1
InChIInChI=1S/C9H12BrN/c10-8-4-3-7-2-1-5-11-9(7)6-8/h6,11H,1-5H2
InChIKeyYZHLDIWYVPQETO-UHFFFAOYSA-N
MW214.11 g/mol
LogP2.70
Rot. Bonds

About 7-bromo-1,2,3,4,5,6-hexahydroquinoline

7-bromo-1,2,3,4,5,6-hexahydroquinoline (PubChem CID 177010542) has the molecular formula C9H12BrN and a molecular weight of 214.11 g/mol. Its IUPAC name is 7-bromo-1,2,3,4,5,6-hexahydroquinoline.

Molecular Properties

Compound Name7-bromo-1,2,3,4,5,6-hexahydroquinoline
PubChem CID177010542
Molecular FormulaC9H12BrN
Molecular Weight214.11 g/mol
Exact Mass213.02
IUPAC Name7-bromo-1,2,3,4,5,6-hexahydroquinoline
SMILESBrC1=CC2=C(CCCN2)CC1
InChIInChI=1S/C9H12BrN/c10-8-4-3-7-2-1-5-11-9(7)6-8/h6,11H,1-5H2
InChIKeyYZHLDIWYVPQETO-UHFFFAOYSA-N
XLogP2.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.11
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 7-bromo-1,2,3,4,5,6-hexahydroquinoline 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

1,2,3,4,5,6-hexahydrocyclohepta[b]pyrrole
CID 145189631
1,2,3,4,5,6-hexahydrocyclopenta[b]azepine
CID 20608513
6,6-dichloro-2,3,4,5-tetrahydro-1H-quinoline
CID 155677435
1,2,3,4,6,7-hexahydro-1-benzazepin-5-one
CID 143420889
6-bromo-8-fluoro-1,2,3,4-tetrahydroquinoline
CID 16791217
7-chloro-2,3,4,5,6,7-hexahydro-1H-1-benzazepine
CID 70326507
2,3,4,5,6,7-hexahydro-1H-quinolin-8-one
CID 13268285
2,3,4,5-tetrahydro-1H-pyrido[3,2-b]azepine
CID 118023477
7-bromo-1,2,3,4-tetrahydrothieno[3,4-b]pyridine
CID 82393363
ethane;2,3,4,7-tetrahydro-1H-cyclohepta[b]pyridine
CID 145121568
7,8-dibromo-1,2,3,4-tetrahydroquinoline
CID 70471236
8-bromo-6-methoxy-1,2,3,4-tetrahydroquinoline;hydrochloride
CID 121231740

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1,2,3,4,5,6-hexahydroquinoline?
The IUPAC name of 7-bromo-1,2,3,4,5,6-hexahydroquinoline (CID 177010542) is 7-bromo-1,2,3,4,5,6-hexahydroquinoline.
What is the SMILES notation for 7-bromo-1,2,3,4,5,6-hexahydroquinoline?
The canonical SMILES for 7-bromo-1,2,3,4,5,6-hexahydroquinoline is BrC1=CC2=C(CCCN2)CC1.
What is the InChIKey of 7-bromo-1,2,3,4,5,6-hexahydroquinoline?
The InChIKey is YZHLDIWYVPQETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN/c10-8-4-3-7-2-1-5-11-9(7)6-8/h6,11H,1-5H2.
What are the key properties of 7-bromo-1,2,3,4,5,6-hexahydroquinoline?
7-bromo-1,2,3,4,5,6-hexahydroquinoline has a molecular weight of 214.11 g/mol, XLogP of 2.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1,2,3,4,5,6-hexahydroquinoline is sourced from PubChem (CID 177010542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).