(4-bromo-2-fluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone

C16H13BrFNO — CID 17461691

IUPAC(4-bromo-2-fluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1ccc(Br)cc1F)N1CCCc2ccccc21
InChIInChI=1S/C16H13BrFNO/c17-12-7-8-13(14(18)10-12)16(20)19-9-3-5-11-4-1-2-6-15(11)19/h1-2,4,6-8,10H,3,5,9H2
InChIKeyHGEJGMISHWNHLL-UHFFFAOYSA-N
MW334.19 g/mol
LogP4.18
Rot. Bonds1

About (4-bromo-2-fluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone

(4-bromo-2-fluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 17461691) has the molecular formula C16H13BrFNO and a molecular weight of 334.19 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID17461691
Molecular FormulaC16H13BrFNO
Molecular Weight334.19 g/mol
Exact Mass333.02
IUPAC Name(4-bromo-2-fluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1ccc(Br)cc1F)N1CCCc2ccccc21
InChIInChI=1S/C16H13BrFNO/c17-12-7-8-13(14(18)10-12)16(20)19-9-3-5-11-4-1-2-6-15(11)19/h1-2,4,6-8,10H,3,5,9H2
InChIKeyHGEJGMISHWNHLL-UHFFFAOYSA-N
XLogP4.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.19
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (4-bromo-2-fluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 17461691) is (4-bromo-2-fluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (4-bromo-2-fluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (4-bromo-2-fluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(c1ccc(Br)cc1F)N1CCCc2ccccc21.
What is the InChIKey of (4-bromo-2-fluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is HGEJGMISHWNHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFNO/c17-12-7-8-13(14(18)10-12)16(20)19-9-3-5-11-4-1-2-6-15(11)19/h1-2,4,6-8,10H,3,5,9H2.
What are the key properties of (4-bromo-2-fluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
(4-bromo-2-fluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 334.19 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 17461691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).