4-hydroxy-1-methyl-3-nitro-6-phenylquinolin-2-one

C16H12N2O4 — CID 54696302

IUPAC4-hydroxy-1-methyl-3-nitro-6-phenylquinolin-2-one
SMILESCn1c(=O)c([N+](=O)[O-])c(O)c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C16H12N2O4/c1-17-13-8-7-11(10-5-3-2-4-6-10)9-12(13)15(19)14(16(17)20)18(21)22/h2-9,19H,1H3
InChIKeyHZCSDOYHPDZDKF-UHFFFAOYSA-N
MW296.28 g/mol
LogP2.82
Rot. Bonds2

About 4-hydroxy-1-methyl-3-nitro-6-phenylquinolin-2-one

4-hydroxy-1-methyl-3-nitro-6-phenylquinolin-2-one (PubChem CID 54696302) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-3-nitro-6-phenylquinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-methyl-3-nitro-6-phenylquinolin-2-one
PubChem CID54696302
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC Name4-hydroxy-1-methyl-3-nitro-6-phenylquinolin-2-one
SMILESCn1c(=O)c([N+](=O)[O-])c(O)c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C16H12N2O4/c1-17-13-8-7-11(10-5-3-2-4-6-10)9-12(13)15(19)14(16(17)20)18(21)22/h2-9,19H,1H3
InChIKeyHZCSDOYHPDZDKF-UHFFFAOYSA-N
XLogP2.82
TPSA85.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-1-methyl-3-nitro-6-phenylquinolin-2-one?
The IUPAC name of 4-hydroxy-1-methyl-3-nitro-6-phenylquinolin-2-one (CID 54696302) is 4-hydroxy-1-methyl-3-nitro-6-phenylquinolin-2-one.
What is the SMILES notation for 4-hydroxy-1-methyl-3-nitro-6-phenylquinolin-2-one?
The canonical SMILES for 4-hydroxy-1-methyl-3-nitro-6-phenylquinolin-2-one is Cn1c(=O)c([N+](=O)[O-])c(O)c2cc(-c3ccccc3)ccc21.
What is the InChIKey of 4-hydroxy-1-methyl-3-nitro-6-phenylquinolin-2-one?
The InChIKey is HZCSDOYHPDZDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c1-17-13-8-7-11(10-5-3-2-4-6-10)9-12(13)15(19)14(16(17)20)18(21)22/h2-9,19H,1H3.
What are the key properties of 4-hydroxy-1-methyl-3-nitro-6-phenylquinolin-2-one?
4-hydroxy-1-methyl-3-nitro-6-phenylquinolin-2-one has a molecular weight of 296.28 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-3-nitro-6-phenylquinolin-2-one is sourced from PubChem (CID 54696302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).