6-bromo-N-(4-carbamoyl-2-fluorophenyl)-3-methyl-2-phenylquinoline-4-carboxamide

C24H17BrFN3O2 — CID 118948515

IUPAC6-bromo-N-(4-carbamoyl-2-fluorophenyl)-3-methyl-2-phenylquinoline-4-carboxamide
SMILESCc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)Nc1ccc(C(N)=O)cc1F
InChIInChI=1S/C24H17BrFN3O2/c1-13-21(24(31)29-20-9-7-15(23(27)30)11-18(20)26)17-12-16(25)8-10-19(17)28-22(13)14-5-3-2-4-6-14/h2-12H,1H3,(H2,27,30)(H,29,31)
InChIKeyPADUSOFNXSUKNK-UHFFFAOYSA-N
MW478.32 g/mol
LogP5.46
Rot. Bonds4

About 6-bromo-N-(4-carbamoyl-2-fluorophenyl)-3-methyl-2-phenylquinoline-4-carboxamide

6-bromo-N-(4-carbamoyl-2-fluorophenyl)-3-methyl-2-phenylquinoline-4-carboxamide (PubChem CID 118948515) has the molecular formula C24H17BrFN3O2 and a molecular weight of 478.32 g/mol. Its IUPAC name is 6-bromo-N-(4-carbamoyl-2-fluorophenyl)-3-methyl-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(4-carbamoyl-2-fluorophenyl)-3-methyl-2-phenylquinoline-4-carboxamide
PubChem CID118948515
Molecular FormulaC24H17BrFN3O2
Molecular Weight478.32 g/mol
Exact Mass477.05
IUPAC Name6-bromo-N-(4-carbamoyl-2-fluorophenyl)-3-methyl-2-phenylquinoline-4-carboxamide
SMILESCc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)Nc1ccc(C(N)=O)cc1F
InChIInChI=1S/C24H17BrFN3O2/c1-13-21(24(31)29-20-9-7-15(23(27)30)11-18(20)26)17-12-16(25)8-10-19(17)28-22(13)14-5-3-2-4-6-14/h2-12H,1H3,(H2,27,30)(H,29,31)
InChIKeyPADUSOFNXSUKNK-UHFFFAOYSA-N
XLogP5.46
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.32
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(4-carbamoyl-2-fluorophenyl)-3-methyl-2-phenylquinoline-4-carboxamide?
The IUPAC name of 6-bromo-N-(4-carbamoyl-2-fluorophenyl)-3-methyl-2-phenylquinoline-4-carboxamide (CID 118948515) is 6-bromo-N-(4-carbamoyl-2-fluorophenyl)-3-methyl-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-N-(4-carbamoyl-2-fluorophenyl)-3-methyl-2-phenylquinoline-4-carboxamide?
The canonical SMILES for 6-bromo-N-(4-carbamoyl-2-fluorophenyl)-3-methyl-2-phenylquinoline-4-carboxamide is Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)Nc1ccc(C(N)=O)cc1F.
What is the InChIKey of 6-bromo-N-(4-carbamoyl-2-fluorophenyl)-3-methyl-2-phenylquinoline-4-carboxamide?
The InChIKey is PADUSOFNXSUKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrFN3O2/c1-13-21(24(31)29-20-9-7-15(23(27)30)11-18(20)26)17-12-16(25)8-10-19(17)28-22(13)14-5-3-2-4-6-14/h2-12H,1H3,(H2,27,30)(H,29,31).
What are the key properties of 6-bromo-N-(4-carbamoyl-2-fluorophenyl)-3-methyl-2-phenylquinoline-4-carboxamide?
6-bromo-N-(4-carbamoyl-2-fluorophenyl)-3-methyl-2-phenylquinoline-4-carboxamide has a molecular weight of 478.32 g/mol, XLogP of 5.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(4-carbamoyl-2-fluorophenyl)-3-methyl-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 118948515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).