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

C10H12BrNO — CID 84703171

IUPAC5-bromo-7-methoxy-1,2,3,4-tetrahydroquinoline
SMILESCOc1cc(Br)c2c(c1)NCCC2
InChIInChI=1S/C10H12BrNO/c1-13-7-5-9(11)8-3-2-4-12-10(8)6-7/h5-6,12H,2-4H2,1H3
InChIKeyNCNAMHKERCRSAD-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.82
Rot. Bonds1

About 5-bromo-7-methoxy-1,2,3,4-tetrahydroquinoline

5-bromo-7-methoxy-1,2,3,4-tetrahydroquinoline (PubChem CID 84703171) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 5-bromo-7-methoxy-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5-bromo-7-methoxy-1,2,3,4-tetrahydroquinoline
PubChem CID84703171
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name5-bromo-7-methoxy-1,2,3,4-tetrahydroquinoline
SMILESCOc1cc(Br)c2c(c1)NCCC2
InChIInChI=1S/C10H12BrNO/c1-13-7-5-9(11)8-3-2-4-12-10(8)6-7/h5-6,12H,2-4H2,1H3
InChIKeyNCNAMHKERCRSAD-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 5-bromo-7-methoxy-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5-bromo-7-methoxy-1,2,3,4-tetrahydroquinoline (CID 84703171) is 5-bromo-7-methoxy-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5-bromo-7-methoxy-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5-bromo-7-methoxy-1,2,3,4-tetrahydroquinoline is COc1cc(Br)c2c(c1)NCCC2.
What is the InChIKey of 5-bromo-7-methoxy-1,2,3,4-tetrahydroquinoline?
The InChIKey is NCNAMHKERCRSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-13-7-5-9(11)8-3-2-4-12-10(8)6-7/h5-6,12H,2-4H2,1H3.
What are the key properties of 5-bromo-7-methoxy-1,2,3,4-tetrahydroquinoline?
5-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 5-bromo-7-methoxy-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 84703171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).