1-(4-bromophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one

C19H14BrNO — CID 4688898

IUPAC1-(4-bromophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
SMILESO=C1CC(c2ccc(Br)cc2)c2c(ccc3ccccc23)N1
InChIInChI=1S/C19H14BrNO/c20-14-8-5-13(6-9-14)16-11-18(22)21-17-10-7-12-3-1-2-4-15(12)19(16)17/h1-10,16H,11H2,(H,21,22)
InChIKeyOXCAGTMRXFZULD-UHFFFAOYSA-N
MW352.23 g/mol
LogP5.08
Rot. Bonds1

About 1-(4-bromophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one

1-(4-bromophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one (PubChem CID 4688898) has the molecular formula C19H14BrNO and a molecular weight of 352.23 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
PubChem CID4688898
Molecular FormulaC19H14BrNO
Molecular Weight352.23 g/mol
Exact Mass351.03
IUPAC Name1-(4-bromophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
SMILESO=C1CC(c2ccc(Br)cc2)c2c(ccc3ccccc23)N1
InChIInChI=1S/C19H14BrNO/c20-14-8-5-13(6-9-14)16-11-18(22)21-17-10-7-12-3-1-2-4-15(12)19(16)17/h1-10,16H,11H2,(H,21,22)
InChIKeyOXCAGTMRXFZULD-UHFFFAOYSA-N
XLogP5.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.23
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one?
The IUPAC name of 1-(4-bromophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one (CID 4688898) is 1-(4-bromophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one.
What is the SMILES notation for 1-(4-bromophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one?
The canonical SMILES for 1-(4-bromophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one is O=C1CC(c2ccc(Br)cc2)c2c(ccc3ccccc23)N1.
What is the InChIKey of 1-(4-bromophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one?
The InChIKey is OXCAGTMRXFZULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrNO/c20-14-8-5-13(6-9-14)16-11-18(22)21-17-10-7-12-3-1-2-4-15(12)19(16)17/h1-10,16H,11H2,(H,21,22).
What are the key properties of 1-(4-bromophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one?
1-(4-bromophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one has a molecular weight of 352.23 g/mol, XLogP of 5.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one is sourced from PubChem (CID 4688898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).