3-nitro-1-phenylquinoline-2,4-dione

C15H10N2O4 — CID 5050226

IUPAC3-nitro-1-phenylquinoline-2,4-dione
SMILESO=C1c2ccccc2N(c2ccccc2)C(=O)C1[N+](=O)[O-]
InChIInChI=1S/C15H10N2O4/c18-14-11-8-4-5-9-12(11)16(10-6-2-1-3-7-10)15(19)13(14)17(20)21/h1-9,13H
InChIKeySQQWMFKVDUWBDX-UHFFFAOYSA-N
MW282.25 g/mol
LogP2.19
Rot. Bonds2

About 3-nitro-1-phenylquinoline-2,4-dione

3-nitro-1-phenylquinoline-2,4-dione (PubChem CID 5050226) has the molecular formula C15H10N2O4 and a molecular weight of 282.25 g/mol. Its IUPAC name is 3-nitro-1-phenylquinoline-2,4-dione.

Molecular Properties

Compound Name3-nitro-1-phenylquinoline-2,4-dione
PubChem CID5050226
Molecular FormulaC15H10N2O4
Molecular Weight282.25 g/mol
Exact Mass282.06
IUPAC Name3-nitro-1-phenylquinoline-2,4-dione
SMILESO=C1c2ccccc2N(c2ccccc2)C(=O)C1[N+](=O)[O-]
InChIInChI=1S/C15H10N2O4/c18-14-11-8-4-5-9-12(11)16(10-6-2-1-3-7-10)15(19)13(14)17(20)21/h1-9,13H
InChIKeySQQWMFKVDUWBDX-UHFFFAOYSA-N
XLogP2.19
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-nitronaphthalene-1,2,4-trione
CID 6995589
(3E)-3-[(4-nitrophenyl)methylidene]-1-phenylindol-2-one
CID 126204727
14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 59838794
(3R)-3-methyl-1-phenyl-3H-indol-2-one
CID 6951281
(3S)-2-oxo-1-phenyl-3H-indole-3-carbaldehyde
CID 1070648
3-(2-nitrophenyl)-1-phenylpyrrole-2,5-dione
CID 50922744
6-nitro-1-phenylbenzo[cd]indol-2-one
CID 2841208
2,3-dimethyl-1-phenyl-2,3-dihydroquinolin-4-one;ethane
CID 91590341
(3S)-3-benzyl-1-phenyl-3H-indol-2-one
CID 26367892
6-nitro-1-phenylindole-2,3-dione
CID 2750946
(3aR,6aR)-3-(4-nitrophenyl)-1,5-diphenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione
CID 98459329
1,3-bis(4-nitrophenyl)-5-phenyl-1,3,4-benzotriazepin-2-one
CID 135033231

Frequently Asked Questions

What is the IUPAC name of 3-nitro-1-phenylquinoline-2,4-dione?
The IUPAC name of 3-nitro-1-phenylquinoline-2,4-dione (CID 5050226) is 3-nitro-1-phenylquinoline-2,4-dione.
What is the SMILES notation for 3-nitro-1-phenylquinoline-2,4-dione?
The canonical SMILES for 3-nitro-1-phenylquinoline-2,4-dione is O=C1c2ccccc2N(c2ccccc2)C(=O)C1[N+](=O)[O-].
What is the InChIKey of 3-nitro-1-phenylquinoline-2,4-dione?
The InChIKey is SQQWMFKVDUWBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O4/c18-14-11-8-4-5-9-12(11)16(10-6-2-1-3-7-10)15(19)13(14)17(20)21/h1-9,13H.
What are the key properties of 3-nitro-1-phenylquinoline-2,4-dione?
3-nitro-1-phenylquinoline-2,4-dione has a molecular weight of 282.25 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-1-phenylquinoline-2,4-dione is sourced from PubChem (CID 5050226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).