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

C16H15BrFN — CID 58477873

IUPAC7-bromo-1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline
SMILESFc1ccc(CN2CCCc3ccc(Br)cc32)cc1
InChIInChI=1S/C16H15BrFN/c17-14-6-5-13-2-1-9-19(16(13)10-14)11-12-3-7-15(18)8-4-12/h3-8,10H,1-2,9,11H2
InChIKeyIXSDJOAVDCRMIX-UHFFFAOYSA-N
MW320.20 g/mol
LogP4.54
Rot. Bonds2

About 7-bromo-1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline

7-bromo-1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline (PubChem CID 58477873) has the molecular formula C16H15BrFN and a molecular weight of 320.20 g/mol. Its IUPAC name is 7-bromo-1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name7-bromo-1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline
PubChem CID58477873
Molecular FormulaC16H15BrFN
Molecular Weight320.20 g/mol
Exact Mass319.04
IUPAC Name7-bromo-1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline
SMILESFc1ccc(CN2CCCc3ccc(Br)cc32)cc1
InChIInChI=1S/C16H15BrFN/c17-14-6-5-13-2-1-9-19(16(13)10-14)11-12-3-7-15(18)8-4-12/h3-8,10H,1-2,9,11H2
InChIKeyIXSDJOAVDCRMIX-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 ≤ 500320.20
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 7-bromo-1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline (CID 58477873) is 7-bromo-1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 7-bromo-1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 7-bromo-1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline is Fc1ccc(CN2CCCc3ccc(Br)cc32)cc1.
What is the InChIKey of 7-bromo-1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline?
The InChIKey is IXSDJOAVDCRMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFN/c17-14-6-5-13-2-1-9-19(16(13)10-14)11-12-3-7-15(18)8-4-12/h3-8,10H,1-2,9,11H2.
What are the key properties of 7-bromo-1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline?
7-bromo-1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline has a molecular weight of 320.20 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 7-bromo-1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 58477873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).