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

C15H10N2O4S — CID 54705774

IUPAC4-hydroxy-3-(2-nitrophenyl)sulfanyl-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2c(O)c1Sc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H10N2O4S/c18-13-9-5-1-2-6-10(9)16-15(19)14(13)22-12-8-4-3-7-11(12)17(20)21/h1-8H,(H2,16,18,19)
InChIKeyRKWIHGCSLBMQQU-UHFFFAOYSA-N
MW314.32 g/mol
LogP3.29
Rot. Bonds3

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

4-hydroxy-3-(2-nitrophenyl)sulfanyl-1H-quinolin-2-one (PubChem CID 54705774) has the molecular formula C15H10N2O4S and a molecular weight of 314.32 g/mol. Its IUPAC name is 4-hydroxy-3-(2-nitrophenyl)sulfanyl-1H-quinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(2-nitrophenyl)sulfanyl-1H-quinolin-2-one
PubChem CID54705774
Molecular FormulaC15H10N2O4S
Molecular Weight314.32 g/mol
Exact Mass314.04
IUPAC Name4-hydroxy-3-(2-nitrophenyl)sulfanyl-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2c(O)c1Sc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H10N2O4S/c18-13-9-5-1-2-6-10(9)16-15(19)14(13)22-12-8-4-3-7-11(12)17(20)21/h1-8H,(H2,16,18,19)
InChIKeyRKWIHGCSLBMQQU-UHFFFAOYSA-N
XLogP3.29
TPSA96.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 53.29
H-Bond Donors ≤ 52
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-3-(2-nitrophenyl)sulfanyl-1H-quinolin-2-one?
The IUPAC name of 4-hydroxy-3-(2-nitrophenyl)sulfanyl-1H-quinolin-2-one (CID 54705774) is 4-hydroxy-3-(2-nitrophenyl)sulfanyl-1H-quinolin-2-one.
What is the SMILES notation for 4-hydroxy-3-(2-nitrophenyl)sulfanyl-1H-quinolin-2-one?
The canonical SMILES for 4-hydroxy-3-(2-nitrophenyl)sulfanyl-1H-quinolin-2-one is O=c1[nH]c2ccccc2c(O)c1Sc1ccccc1[N+](=O)[O-].
What is the InChIKey of 4-hydroxy-3-(2-nitrophenyl)sulfanyl-1H-quinolin-2-one?
The InChIKey is RKWIHGCSLBMQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O4S/c18-13-9-5-1-2-6-10(9)16-15(19)14(13)22-12-8-4-3-7-11(12)17(20)21/h1-8H,(H2,16,18,19).
What are the key properties of 4-hydroxy-3-(2-nitrophenyl)sulfanyl-1H-quinolin-2-one?
4-hydroxy-3-(2-nitrophenyl)sulfanyl-1H-quinolin-2-one has a molecular weight of 314.32 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(2-nitrophenyl)sulfanyl-1H-quinolin-2-one is sourced from PubChem (CID 54705774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).