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

C16H15BrFN — CID 63462245

IUPAC1-[(2-bromo-4-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline
SMILESFc1ccc(CN2CCCc3ccccc32)c(Br)c1
InChIInChI=1S/C16H15BrFN/c17-15-10-14(18)8-7-13(15)11-19-9-3-5-12-4-1-2-6-16(12)19/h1-2,4,6-8,10H,3,5,9,11H2
InChIKeyVPSJSXDWDQTATJ-UHFFFAOYSA-N
MW320.21 g/mol
LogP4.54
Rot. Bonds2

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

1-[(2-bromo-4-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline (PubChem CID 63462245) has the molecular formula C16H15BrFN and a molecular weight of 320.21 g/mol. Its IUPAC name is 1-[(2-bromo-4-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[(2-bromo-4-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline
PubChem CID63462245
Molecular FormulaC16H15BrFN
Molecular Weight320.21 g/mol
Exact Mass319.04
IUPAC Name1-[(2-bromo-4-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline
SMILESFc1ccc(CN2CCCc3ccccc32)c(Br)c1
InChIInChI=1S/C16H15BrFN/c17-15-10-14(18)8-7-13(15)11-19-9-3-5-12-4-1-2-6-16(12)19/h1-2,4,6-8,10H,3,5,9,11H2
InChIKeyVPSJSXDWDQTATJ-UHFFFAOYSA-N
XLogP4.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-4-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[(2-bromo-4-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline (CID 63462245) is 1-[(2-bromo-4-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[(2-bromo-4-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[(2-bromo-4-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline is Fc1ccc(CN2CCCc3ccccc32)c(Br)c1.
What is the InChIKey of 1-[(2-bromo-4-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline?
The InChIKey is VPSJSXDWDQTATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFN/c17-15-10-14(18)8-7-13(15)11-19-9-3-5-12-4-1-2-6-16(12)19/h1-2,4,6-8,10H,3,5,9,11H2.
What are the key properties of 1-[(2-bromo-4-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline?
1-[(2-bromo-4-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline has a molecular weight of 320.21 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-4-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 63462245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).