7-bromo-1-(2,4-difluorophenyl)-4-oxoquinoline-2-carbaldehyde

C16H8BrF2NO2 — CID 57326061

IUPAC7-bromo-1-(2,4-difluorophenyl)-4-oxoquinoline-2-carbaldehyde
SMILESO=Cc1cc(=O)c2ccc(Br)cc2n1-c1ccc(F)cc1F
InChIInChI=1S/C16H8BrF2NO2/c17-9-1-3-12-15(5-9)20(11(8-21)7-16(12)22)14-4-2-10(18)6-13(14)19/h1-8H
InChIKeyTWFDYYIYZCMWHJ-UHFFFAOYSA-N
MW364.15 g/mol
LogP3.84
Rot. Bonds2

About 7-bromo-1-(2,4-difluorophenyl)-4-oxoquinoline-2-carbaldehyde

7-bromo-1-(2,4-difluorophenyl)-4-oxoquinoline-2-carbaldehyde (PubChem CID 57326061) has the molecular formula C16H8BrF2NO2 and a molecular weight of 364.15 g/mol. Its IUPAC name is 7-bromo-1-(2,4-difluorophenyl)-4-oxoquinoline-2-carbaldehyde.

Molecular Properties

Compound Name7-bromo-1-(2,4-difluorophenyl)-4-oxoquinoline-2-carbaldehyde
PubChem CID57326061
Molecular FormulaC16H8BrF2NO2
Molecular Weight364.15 g/mol
Exact Mass362.97
IUPAC Name7-bromo-1-(2,4-difluorophenyl)-4-oxoquinoline-2-carbaldehyde
SMILESO=Cc1cc(=O)c2ccc(Br)cc2n1-c1ccc(F)cc1F
InChIInChI=1S/C16H8BrF2NO2/c17-9-1-3-12-15(5-9)20(11(8-21)7-16(12)22)14-4-2-10(18)6-13(14)19/h1-8H
InChIKeyTWFDYYIYZCMWHJ-UHFFFAOYSA-N
XLogP3.84
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.15
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-(2,4-difluorophenyl)-4-oxoquinoline-2-carbaldehyde?
The IUPAC name of 7-bromo-1-(2,4-difluorophenyl)-4-oxoquinoline-2-carbaldehyde (CID 57326061) is 7-bromo-1-(2,4-difluorophenyl)-4-oxoquinoline-2-carbaldehyde.
What is the SMILES notation for 7-bromo-1-(2,4-difluorophenyl)-4-oxoquinoline-2-carbaldehyde?
The canonical SMILES for 7-bromo-1-(2,4-difluorophenyl)-4-oxoquinoline-2-carbaldehyde is O=Cc1cc(=O)c2ccc(Br)cc2n1-c1ccc(F)cc1F.
What is the InChIKey of 7-bromo-1-(2,4-difluorophenyl)-4-oxoquinoline-2-carbaldehyde?
The InChIKey is TWFDYYIYZCMWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8BrF2NO2/c17-9-1-3-12-15(5-9)20(11(8-21)7-16(12)22)14-4-2-10(18)6-13(14)19/h1-8H.
What are the key properties of 7-bromo-1-(2,4-difluorophenyl)-4-oxoquinoline-2-carbaldehyde?
7-bromo-1-(2,4-difluorophenyl)-4-oxoquinoline-2-carbaldehyde has a molecular weight of 364.15 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-(2,4-difluorophenyl)-4-oxoquinoline-2-carbaldehyde is sourced from PubChem (CID 57326061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).