3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-N-(4-fluorophenyl)-2-oxopropanamide

C24H16FN3O4 — CID 4113472

IUPAC3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-N-(4-fluorophenyl)-2-oxopropanamide
SMILESO=C(Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]c1=O)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C24H16FN3O4/c25-16-7-9-17(10-8-16)26-24(32)21(29)13-20-23(31)28-19-12-15(6-11-18(19)27-20)22(30)14-4-2-1-3-5-14/h1-12H,13H2,(H,26,32)(H,28,31)
InChIKeySVZGQQHNFDMKPJ-UHFFFAOYSA-N
MW429.41 g/mol
LogP3.04
Rot. Bonds6

About 3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-N-(4-fluorophenyl)-2-oxopropanamide

3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-N-(4-fluorophenyl)-2-oxopropanamide (PubChem CID 4113472) has the molecular formula C24H16FN3O4 and a molecular weight of 429.41 g/mol. Its IUPAC name is 3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-N-(4-fluorophenyl)-2-oxopropanamide.

Molecular Properties

Compound Name3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-N-(4-fluorophenyl)-2-oxopropanamide
PubChem CID4113472
Molecular FormulaC24H16FN3O4
Molecular Weight429.41 g/mol
Exact Mass429.11
IUPAC Name3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-N-(4-fluorophenyl)-2-oxopropanamide
SMILESO=C(Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]c1=O)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C24H16FN3O4/c25-16-7-9-17(10-8-16)26-24(32)21(29)13-20-23(31)28-19-12-15(6-11-18(19)27-20)22(30)14-4-2-1-3-5-14/h1-12H,13H2,(H,26,32)(H,28,31)
InChIKeySVZGQQHNFDMKPJ-UHFFFAOYSA-N
XLogP3.04
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-N-(4-fluorophenyl)-2-oxopropanamide?
The IUPAC name of 3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-N-(4-fluorophenyl)-2-oxopropanamide (CID 4113472) is 3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-N-(4-fluorophenyl)-2-oxopropanamide.
What is the SMILES notation for 3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-N-(4-fluorophenyl)-2-oxopropanamide?
The canonical SMILES for 3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-N-(4-fluorophenyl)-2-oxopropanamide is O=C(Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]c1=O)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-N-(4-fluorophenyl)-2-oxopropanamide?
The InChIKey is SVZGQQHNFDMKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN3O4/c25-16-7-9-17(10-8-16)26-24(32)21(29)13-20-23(31)28-19-12-15(6-11-18(19)27-20)22(30)14-4-2-1-3-5-14/h1-12H,13H2,(H,26,32)(H,28,31).
What are the key properties of 3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-N-(4-fluorophenyl)-2-oxopropanamide?
3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-N-(4-fluorophenyl)-2-oxopropanamide has a molecular weight of 429.41 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-N-(4-fluorophenyl)-2-oxopropanamide is sourced from PubChem (CID 4113472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).