N-(4-bromo-2-fluorophenyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide

C22H12BrCl2FN2O — CID 4987949

IUPACN-(4-bromo-2-fluorophenyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12
InChIInChI=1S/C22H12BrCl2FN2O/c23-12-5-8-20(18(26)9-12)28-22(29)16-11-21(15-7-6-13(24)10-17(15)25)27-19-4-2-1-3-14(16)19/h1-11H,(H,28,29)
InChIKeyUNZZZCZOPOJLFR-UHFFFAOYSA-N
MW490.16 g/mol
LogP7.36
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide

N-(4-bromo-2-fluorophenyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide (PubChem CID 4987949) has the molecular formula C22H12BrCl2FN2O and a molecular weight of 490.16 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide
PubChem CID4987949
Molecular FormulaC22H12BrCl2FN2O
Molecular Weight490.16 g/mol
Exact Mass487.95
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12
InChIInChI=1S/C22H12BrCl2FN2O/c23-12-5-8-20(18(26)9-12)28-22(29)16-11-21(15-7-6-13(24)10-17(15)25)27-19-4-2-1-3-14(16)19/h1-11H,(H,28,29)
InChIKeyUNZZZCZOPOJLFR-UHFFFAOYSA-N
XLogP7.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.16
LogP ≤ 57.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide (CID 4987949) is N-(4-bromo-2-fluorophenyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide is O=C(Nc1ccc(Br)cc1F)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide?
The InChIKey is UNZZZCZOPOJLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12BrCl2FN2O/c23-12-5-8-20(18(26)9-12)28-22(29)16-11-21(15-7-6-13(24)10-17(15)25)27-19-4-2-1-3-14(16)19/h1-11H,(H,28,29).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide?
N-(4-bromo-2-fluorophenyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide has a molecular weight of 490.16 g/mol, XLogP of 7.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide is sourced from PubChem (CID 4987949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).