6-bromo-2-(2-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydroquinoline

C16H15BrFNO — CID 132590115

IUPAC6-bromo-2-(2-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydroquinoline
SMILESCOc1cc2c(cc1Br)CCC(c1ccccc1F)N2
InChIInChI=1S/C16H15BrFNO/c1-20-16-9-15-10(8-12(16)17)6-7-14(19-15)11-4-2-3-5-13(11)18/h2-5,8-9,14,19H,6-7H2,1H3
InChIKeySQFXOVRANNQNQM-UHFFFAOYSA-N
MW336.20 g/mol
LogP4.70
Rot. Bonds2

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

6-bromo-2-(2-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydroquinoline (PubChem CID 132590115) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is 6-bromo-2-(2-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-bromo-2-(2-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydroquinoline
PubChem CID132590115
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC Name6-bromo-2-(2-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydroquinoline
SMILESCOc1cc2c(cc1Br)CCC(c1ccccc1F)N2
InChIInChI=1S/C16H15BrFNO/c1-20-16-9-15-10(8-12(16)17)6-7-14(19-15)11-4-2-3-5-13(11)18/h2-5,8-9,14,19H,6-7H2,1H3
InChIKeySQFXOVRANNQNQM-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-bromo-2-(2-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydroquinoline (CID 132590115) is 6-bromo-2-(2-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-bromo-2-(2-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-bromo-2-(2-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydroquinoline is COc1cc2c(cc1Br)CCC(c1ccccc1F)N2.
What is the InChIKey of 6-bromo-2-(2-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydroquinoline?
The InChIKey is SQFXOVRANNQNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c1-20-16-9-15-10(8-12(16)17)6-7-14(19-15)11-4-2-3-5-13(11)18/h2-5,8-9,14,19H,6-7H2,1H3.
What are the key properties of 6-bromo-2-(2-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydroquinoline?
6-bromo-2-(2-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydroquinoline has a molecular weight of 336.20 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 132590115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).