6-bromo-7-methoxy-1,2,3,4-tetrahydroquinoline

C10H12BrNO — CID 71695396

IUPAC6-bromo-7-methoxy-1,2,3,4-tetrahydroquinoline
SMILESCOc1cc2c(cc1Br)CCCN2
InChIInChI=1S/C10H12BrNO/c1-13-10-6-9-7(5-8(10)11)3-2-4-12-9/h5-6,12H,2-4H2,1H3
InChIKeyDGZXGWDPVYVZNP-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.82
Rot. Bonds1

About 6-bromo-7-methoxy-1,2,3,4-tetrahydroquinoline

6-bromo-7-methoxy-1,2,3,4-tetrahydroquinoline (PubChem CID 71695396) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 6-bromo-7-methoxy-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-bromo-7-methoxy-1,2,3,4-tetrahydroquinoline
PubChem CID71695396
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name6-bromo-7-methoxy-1,2,3,4-tetrahydroquinoline
SMILESCOc1cc2c(cc1Br)CCCN2
InChIInChI=1S/C10H12BrNO/c1-13-10-6-9-7(5-8(10)11)3-2-4-12-9/h5-6,12H,2-4H2,1H3
InChIKeyDGZXGWDPVYVZNP-UHFFFAOYSA-N
XLogP2.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-methoxy-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-bromo-7-methoxy-1,2,3,4-tetrahydroquinoline (CID 71695396) is 6-bromo-7-methoxy-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-bromo-7-methoxy-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-bromo-7-methoxy-1,2,3,4-tetrahydroquinoline is COc1cc2c(cc1Br)CCCN2.
What is the InChIKey of 6-bromo-7-methoxy-1,2,3,4-tetrahydroquinoline?
The InChIKey is DGZXGWDPVYVZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-13-10-6-9-7(5-8(10)11)3-2-4-12-9/h5-6,12H,2-4H2,1H3.
What are the key properties of 6-bromo-7-methoxy-1,2,3,4-tetrahydroquinoline?
6-bromo-7-methoxy-1,2,3,4-tetrahydroquinoline has a molecular weight of 242.12 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-methoxy-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 71695396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).