5-nitro-1-phenylquinolin-2-one

C15H10N2O3 — CID 90152623

IUPAC5-nitro-1-phenylquinolin-2-one
SMILESO=c1ccc2c([N+](=O)[O-])cccc2n1-c1ccccc1
InChIInChI=1S/C15H10N2O3/c18-15-10-9-12-13(7-4-8-14(12)17(19)20)16(15)11-5-2-1-3-6-11/h1-10H
InChIKeyTYQKYXWYKXRNPL-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.90
Rot. Bonds2

About 5-nitro-1-phenylquinolin-2-one

5-nitro-1-phenylquinolin-2-one (PubChem CID 90152623) has the molecular formula C15H10N2O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is 5-nitro-1-phenylquinolin-2-one.

Molecular Properties

Compound Name5-nitro-1-phenylquinolin-2-one
PubChem CID90152623
Molecular FormulaC15H10N2O3
Molecular Weight266.26 g/mol
Exact Mass266.07
IUPAC Name5-nitro-1-phenylquinolin-2-one
SMILESO=c1ccc2c([N+](=O)[O-])cccc2n1-c1ccccc1
InChIInChI=1S/C15H10N2O3/c18-15-10-9-12-13(7-4-8-14(12)17(19)20)16(15)11-5-2-1-3-6-11/h1-10H
InChIKeyTYQKYXWYKXRNPL-UHFFFAOYSA-N
XLogP2.90
TPSA65.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.90
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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Related Compounds

5-amino-1-phenylquinolin-2-one
CID 90152622
4-(8-nitronaphthalen-1-yl)-9-phenylcarbazole
CID 142725520
4-(2-nitrophenyl)-5,10-diphenylindolo[3,2-b]indole
CID 118197251
4-(2-oxo-1-phenylquinolin-4-yl)-1-phenylquinolin-2-one
CID 11503080
ethane;1-methyl-4-nitroindole
CID 143310904
3-nitro-9-phenylcarbazole;9-phenylcarbazole
CID 159323942
4-hydroxy-3-[C-methyl-N-(2-nitrophenyl)carbonimidoyl]-1-phenylquinolin-2-one
CID 135525034
4-nitro-1-[(E)-3-phenylprop-2-enyl]indole
CID 115635429
1-nitronaphthalene;hydrate
CID 174470741
6-(2-nitrophenyl)-12-phenyl-[1,4]benzodioxino[2,3-a]carbazole
CID 154697323
1,1'-biphenyl;1-nitronaphthalene
CID 174805071
4-nitro-1-(2-phenylsulfanylethyl)indole
CID 116623422

Frequently Asked Questions

What is the IUPAC name of 5-nitro-1-phenylquinolin-2-one?
The IUPAC name of 5-nitro-1-phenylquinolin-2-one (CID 90152623) is 5-nitro-1-phenylquinolin-2-one.
What is the SMILES notation for 5-nitro-1-phenylquinolin-2-one?
The canonical SMILES for 5-nitro-1-phenylquinolin-2-one is O=c1ccc2c([N+](=O)[O-])cccc2n1-c1ccccc1.
What is the InChIKey of 5-nitro-1-phenylquinolin-2-one?
The InChIKey is TYQKYXWYKXRNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O3/c18-15-10-9-12-13(7-4-8-14(12)17(19)20)16(15)11-5-2-1-3-6-11/h1-10H.
What are the key properties of 5-nitro-1-phenylquinolin-2-one?
5-nitro-1-phenylquinolin-2-one has a molecular weight of 266.26 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-1-phenylquinolin-2-one is sourced from PubChem (CID 90152623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).