4-hydroxy-3-(2-nitrophenyl)-1H-quinolin-2-one

C15H10N2O4 — CID 54682351

IUPAC4-hydroxy-3-(2-nitrophenyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2c(O)c1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H10N2O4/c18-14-9-5-1-3-7-11(9)16-15(19)13(14)10-6-2-4-8-12(10)17(20)21/h1-8H,(H2,16,18,19)
InChIKeyVBCHUGNMPRAFCZ-UHFFFAOYSA-N
MW282.25 g/mol
LogP2.81
Rot. Bonds2

About 4-hydroxy-3-(2-nitrophenyl)-1H-quinolin-2-one

4-hydroxy-3-(2-nitrophenyl)-1H-quinolin-2-one (PubChem CID 54682351) has the molecular formula C15H10N2O4 and a molecular weight of 282.25 g/mol. Its IUPAC name is 4-hydroxy-3-(2-nitrophenyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(2-nitrophenyl)-1H-quinolin-2-one
PubChem CID54682351
Molecular FormulaC15H10N2O4
Molecular Weight282.25 g/mol
Exact Mass282.06
IUPAC Name4-hydroxy-3-(2-nitrophenyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2c(O)c1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H10N2O4/c18-14-9-5-1-3-7-11(9)16-15(19)13(14)10-6-2-4-8-12(10)17(20)21/h1-8H,(H2,16,18,19)
InChIKeyVBCHUGNMPRAFCZ-UHFFFAOYSA-N
XLogP2.81
TPSA96.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 52.81
H-Bond Donors ≤ 52
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 4-hydroxy-3-(2-nitrophenyl)-1H-quinolin-2-one?
The IUPAC name of 4-hydroxy-3-(2-nitrophenyl)-1H-quinolin-2-one (CID 54682351) is 4-hydroxy-3-(2-nitrophenyl)-1H-quinolin-2-one.
What is the SMILES notation for 4-hydroxy-3-(2-nitrophenyl)-1H-quinolin-2-one?
The canonical SMILES for 4-hydroxy-3-(2-nitrophenyl)-1H-quinolin-2-one is O=c1[nH]c2ccccc2c(O)c1-c1ccccc1[N+](=O)[O-].
What is the InChIKey of 4-hydroxy-3-(2-nitrophenyl)-1H-quinolin-2-one?
The InChIKey is VBCHUGNMPRAFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O4/c18-14-9-5-1-3-7-11(9)16-15(19)13(14)10-6-2-4-8-12(10)17(20)21/h1-8H,(H2,16,18,19).
What are the key properties of 4-hydroxy-3-(2-nitrophenyl)-1H-quinolin-2-one?
4-hydroxy-3-(2-nitrophenyl)-1H-quinolin-2-one has a molecular weight of 282.25 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(2-nitrophenyl)-1H-quinolin-2-one is sourced from PubChem (CID 54682351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).