1-(4-nitrophenyl)-2-phenylquinolin-4-one

C21H14N2O3 — CID 44632197

IUPAC1-(4-nitrophenyl)-2-phenylquinolin-4-one
SMILESO=c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c2ccccc12
InChIInChI=1S/C21H14N2O3/c24-21-14-20(15-6-2-1-3-7-15)22(19-9-5-4-8-18(19)21)16-10-12-17(13-11-16)23(25)26/h1-14H
InChIKeyVNFBDSQNXBCOQR-UHFFFAOYSA-N
MW342.35 g/mol
LogP4.57
Rot. Bonds3

About 1-(4-nitrophenyl)-2-phenylquinolin-4-one

1-(4-nitrophenyl)-2-phenylquinolin-4-one (PubChem CID 44632197) has the molecular formula C21H14N2O3 and a molecular weight of 342.35 g/mol. Its IUPAC name is 1-(4-nitrophenyl)-2-phenylquinolin-4-one.

Molecular Properties

Compound Name1-(4-nitrophenyl)-2-phenylquinolin-4-one
PubChem CID44632197
Molecular FormulaC21H14N2O3
Molecular Weight342.35 g/mol
Exact Mass342.10
IUPAC Name1-(4-nitrophenyl)-2-phenylquinolin-4-one
SMILESO=c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c2ccccc12
InChIInChI=1S/C21H14N2O3/c24-21-14-20(15-6-2-1-3-7-15)22(19-9-5-4-8-18(19)21)16-10-12-17(13-11-16)23(25)26/h1-14H
InChIKeyVNFBDSQNXBCOQR-UHFFFAOYSA-N
XLogP4.57
TPSA65.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1-(4-nitrophenyl)-2-phenylquinolin-4-one?
The IUPAC name of 1-(4-nitrophenyl)-2-phenylquinolin-4-one (CID 44632197) is 1-(4-nitrophenyl)-2-phenylquinolin-4-one.
What is the SMILES notation for 1-(4-nitrophenyl)-2-phenylquinolin-4-one?
The canonical SMILES for 1-(4-nitrophenyl)-2-phenylquinolin-4-one is O=c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c2ccccc12.
What is the InChIKey of 1-(4-nitrophenyl)-2-phenylquinolin-4-one?
The InChIKey is VNFBDSQNXBCOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O3/c24-21-14-20(15-6-2-1-3-7-15)22(19-9-5-4-8-18(19)21)16-10-12-17(13-11-16)23(25)26/h1-14H.
What are the key properties of 1-(4-nitrophenyl)-2-phenylquinolin-4-one?
1-(4-nitrophenyl)-2-phenylquinolin-4-one has a molecular weight of 342.35 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)-2-phenylquinolin-4-one is sourced from PubChem (CID 44632197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).