4-hydroxy-5-methyl-3-nitro-1H-quinolin-2-one

C10H8N2O4 — CID 54696489

IUPAC4-hydroxy-5-methyl-3-nitro-1H-quinolin-2-one
SMILESCc1cccc2[nH]c(=O)c([N+](=O)[O-])c(O)c12
InChIInChI=1S/C10H8N2O4/c1-5-3-2-4-6-7(5)9(13)8(12(15)16)10(14)11-6/h2-4H,1H3,(H2,11,13,14)
InChIKeyHVAHNQOMFVORBN-UHFFFAOYSA-N
MW220.18 g/mol
LogP1.45
Rot. Bonds1

About 4-hydroxy-5-methyl-3-nitro-1H-quinolin-2-one

4-hydroxy-5-methyl-3-nitro-1H-quinolin-2-one (PubChem CID 54696489) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-3-nitro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-3-nitro-1H-quinolin-2-one
PubChem CID54696489
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Name4-hydroxy-5-methyl-3-nitro-1H-quinolin-2-one
SMILESCc1cccc2[nH]c(=O)c([N+](=O)[O-])c(O)c12
InChIInChI=1S/C10H8N2O4/c1-5-3-2-4-6-7(5)9(13)8(12(15)16)10(14)11-6/h2-4H,1H3,(H2,11,13,14)
InChIKeyHVAHNQOMFVORBN-UHFFFAOYSA-N
XLogP1.45
TPSA96.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 51.45
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-5-methyl-3-nitro-1H-quinolin-2-one?
The IUPAC name of 4-hydroxy-5-methyl-3-nitro-1H-quinolin-2-one (CID 54696489) is 4-hydroxy-5-methyl-3-nitro-1H-quinolin-2-one.
What is the SMILES notation for 4-hydroxy-5-methyl-3-nitro-1H-quinolin-2-one?
The canonical SMILES for 4-hydroxy-5-methyl-3-nitro-1H-quinolin-2-one is Cc1cccc2[nH]c(=O)c([N+](=O)[O-])c(O)c12.
What is the InChIKey of 4-hydroxy-5-methyl-3-nitro-1H-quinolin-2-one?
The InChIKey is HVAHNQOMFVORBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c1-5-3-2-4-6-7(5)9(13)8(12(15)16)10(14)11-6/h2-4H,1H3,(H2,11,13,14).
What are the key properties of 4-hydroxy-5-methyl-3-nitro-1H-quinolin-2-one?
4-hydroxy-5-methyl-3-nitro-1H-quinolin-2-one has a molecular weight of 220.18 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-3-nitro-1H-quinolin-2-one is sourced from PubChem (CID 54696489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).