1-[(3-bromo-4-fluorophenyl)methyl]-2-methyl-3,4-dihydro-2H-quinoline

C17H17BrFN — CID 63464174

IUPAC1-[(3-bromo-4-fluorophenyl)methyl]-2-methyl-3,4-dihydro-2H-quinoline
SMILESCC1CCc2ccccc2N1Cc1ccc(F)c(Br)c1
InChIInChI=1S/C17H17BrFN/c1-12-6-8-14-4-2-3-5-17(14)20(12)11-13-7-9-16(19)15(18)10-13/h2-5,7,9-10,12H,6,8,11H2,1H3
InChIKeyOUSFSEFOAZOHJV-UHFFFAOYSA-N
MW334.23 g/mol
LogP4.93
Rot. Bonds2

About 1-[(3-bromo-4-fluorophenyl)methyl]-2-methyl-3,4-dihydro-2H-quinoline

1-[(3-bromo-4-fluorophenyl)methyl]-2-methyl-3,4-dihydro-2H-quinoline (PubChem CID 63464174) has the molecular formula C17H17BrFN and a molecular weight of 334.23 g/mol. Its IUPAC name is 1-[(3-bromo-4-fluorophenyl)methyl]-2-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[(3-bromo-4-fluorophenyl)methyl]-2-methyl-3,4-dihydro-2H-quinoline
PubChem CID63464174
Molecular FormulaC17H17BrFN
Molecular Weight334.23 g/mol
Exact Mass333.05
IUPAC Name1-[(3-bromo-4-fluorophenyl)methyl]-2-methyl-3,4-dihydro-2H-quinoline
SMILESCC1CCc2ccccc2N1Cc1ccc(F)c(Br)c1
InChIInChI=1S/C17H17BrFN/c1-12-6-8-14-4-2-3-5-17(14)20(12)11-13-7-9-16(19)15(18)10-13/h2-5,7,9-10,12H,6,8,11H2,1H3
InChIKeyOUSFSEFOAZOHJV-UHFFFAOYSA-N
XLogP4.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.23
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-4-fluorophenyl)methyl]-2-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[(3-bromo-4-fluorophenyl)methyl]-2-methyl-3,4-dihydro-2H-quinoline (CID 63464174) is 1-[(3-bromo-4-fluorophenyl)methyl]-2-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[(3-bromo-4-fluorophenyl)methyl]-2-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[(3-bromo-4-fluorophenyl)methyl]-2-methyl-3,4-dihydro-2H-quinoline is CC1CCc2ccccc2N1Cc1ccc(F)c(Br)c1.
What is the InChIKey of 1-[(3-bromo-4-fluorophenyl)methyl]-2-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is OUSFSEFOAZOHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFN/c1-12-6-8-14-4-2-3-5-17(14)20(12)11-13-7-9-16(19)15(18)10-13/h2-5,7,9-10,12H,6,8,11H2,1H3.
What are the key properties of 1-[(3-bromo-4-fluorophenyl)methyl]-2-methyl-3,4-dihydro-2H-quinoline?
1-[(3-bromo-4-fluorophenyl)methyl]-2-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 334.23 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-4-fluorophenyl)methyl]-2-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 63464174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).