4-(3-acetylanilino)-3-nitro-1-phenylquinolin-2-one

C23H17N3O4 — CID 23473428

IUPAC4-(3-acetylanilino)-3-nitro-1-phenylquinolin-2-one
SMILESCC(=O)c1cccc(Nc2c([N+](=O)[O-])c(=O)n(-c3ccccc3)c3ccccc23)c1
InChIInChI=1S/C23H17N3O4/c1-15(27)16-8-7-9-17(14-16)24-21-19-12-5-6-13-20(19)25(18-10-3-2-4-11-18)23(28)22(21)26(29)30/h2-14,24H,1H3
InChIKeyIUDLFQNICNSGRR-UHFFFAOYSA-N
MW399.41 g/mol
LogP4.85
Rot. Bonds5

About 4-(3-acetylanilino)-3-nitro-1-phenylquinolin-2-one

4-(3-acetylanilino)-3-nitro-1-phenylquinolin-2-one (PubChem CID 23473428) has the molecular formula C23H17N3O4 and a molecular weight of 399.41 g/mol. Its IUPAC name is 4-(3-acetylanilino)-3-nitro-1-phenylquinolin-2-one.

Molecular Properties

Compound Name4-(3-acetylanilino)-3-nitro-1-phenylquinolin-2-one
PubChem CID23473428
Molecular FormulaC23H17N3O4
Molecular Weight399.41 g/mol
Exact Mass399.12
IUPAC Name4-(3-acetylanilino)-3-nitro-1-phenylquinolin-2-one
SMILESCC(=O)c1cccc(Nc2c([N+](=O)[O-])c(=O)n(-c3ccccc3)c3ccccc23)c1
InChIInChI=1S/C23H17N3O4/c1-15(27)16-8-7-9-17(14-16)24-21-19-12-5-6-13-20(19)25(18-10-3-2-4-11-18)23(28)22(21)26(29)30/h2-14,24H,1H3
InChIKeyIUDLFQNICNSGRR-UHFFFAOYSA-N
XLogP4.85
TPSA94.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-acetylanilino)-3-nitro-1-phenylquinolin-2-one?
The IUPAC name of 4-(3-acetylanilino)-3-nitro-1-phenylquinolin-2-one (CID 23473428) is 4-(3-acetylanilino)-3-nitro-1-phenylquinolin-2-one.
What is the SMILES notation for 4-(3-acetylanilino)-3-nitro-1-phenylquinolin-2-one?
The canonical SMILES for 4-(3-acetylanilino)-3-nitro-1-phenylquinolin-2-one is CC(=O)c1cccc(Nc2c([N+](=O)[O-])c(=O)n(-c3ccccc3)c3ccccc23)c1.
What is the InChIKey of 4-(3-acetylanilino)-3-nitro-1-phenylquinolin-2-one?
The InChIKey is IUDLFQNICNSGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O4/c1-15(27)16-8-7-9-17(14-16)24-21-19-12-5-6-13-20(19)25(18-10-3-2-4-11-18)23(28)22(21)26(29)30/h2-14,24H,1H3.
What are the key properties of 4-(3-acetylanilino)-3-nitro-1-phenylquinolin-2-one?
4-(3-acetylanilino)-3-nitro-1-phenylquinolin-2-one has a molecular weight of 399.41 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetylanilino)-3-nitro-1-phenylquinolin-2-one is sourced from PubChem (CID 23473428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).