9-oxo-N-sulfanyl-10H-acridine-3-carboxamide

C14H10N2O2S — CID 142264856

IUPAC9-oxo-N-sulfanyl-10H-acridine-3-carboxamide
SMILESO=C(NS)c1ccc2c(=O)c3ccccc3[nH]c2c1
InChIInChI=1S/C14H10N2O2S/c17-13-9-3-1-2-4-11(9)15-12-7-8(14(18)16-19)5-6-10(12)13/h1-7,19H,(H,15,17)(H,16,18)
InChIKeyLURHRFDJSHWGNA-UHFFFAOYSA-N
MW270.31 g/mol
LogP2.26
Rot. Bonds1

About 9-oxo-N-sulfanyl-10H-acridine-3-carboxamide

9-oxo-N-sulfanyl-10H-acridine-3-carboxamide (PubChem CID 142264856) has the molecular formula C14H10N2O2S and a molecular weight of 270.31 g/mol. Its IUPAC name is 9-oxo-N-sulfanyl-10H-acridine-3-carboxamide.

Molecular Properties

Compound Name9-oxo-N-sulfanyl-10H-acridine-3-carboxamide
PubChem CID142264856
Molecular FormulaC14H10N2O2S
Molecular Weight270.31 g/mol
Exact Mass270.05
IUPAC Name9-oxo-N-sulfanyl-10H-acridine-3-carboxamide
SMILESO=C(NS)c1ccc2c(=O)c3ccccc3[nH]c2c1
InChIInChI=1S/C14H10N2O2S/c17-13-9-3-1-2-4-11(9)15-12-7-8(14(18)16-19)5-6-10(12)13/h1-7,19H,(H,15,17)(H,16,18)
InChIKeyLURHRFDJSHWGNA-UHFFFAOYSA-N
XLogP2.26
TPSA61.96 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 9-oxo-N-sulfanyl-10H-acridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-3-carboxylic acid
CID 18344486
N-(2-cyanopropan-2-yl)-9-oxo-10H-acridine-3-carboxamide
CID 142264774
N-(1-hydroxy-2-methyl-1-phenylpropan-2-yl)-9-oxo-10H-acridine-3-carboxamide
CID 59019210
10H-acridin-9-one
CID 22753806
N-[2-(2-methylsulfonylphenyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
CID 68561679
5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;ethane
CID 90939428
10H-acridin-9-one;ethane
CID 91525380
9-oxo-N-pyridin-3-yl-10H-acridine-2-carboxamide
CID 75511238
2-amino-1-(9H-carbazol-2-yl)ethanone
CID 170860262
N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
CID 68558251
N-[2-[6-(azetidin-1-yl)-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
CID 68558236
10-oxo-5H-benzo[b][1,6]naphthyridine-3-carboxylic acid
CID 20811575

Frequently Asked Questions

What is the IUPAC name of 9-oxo-N-sulfanyl-10H-acridine-3-carboxamide?
The IUPAC name of 9-oxo-N-sulfanyl-10H-acridine-3-carboxamide (CID 142264856) is 9-oxo-N-sulfanyl-10H-acridine-3-carboxamide.
What is the SMILES notation for 9-oxo-N-sulfanyl-10H-acridine-3-carboxamide?
The canonical SMILES for 9-oxo-N-sulfanyl-10H-acridine-3-carboxamide is O=C(NS)c1ccc2c(=O)c3ccccc3[nH]c2c1.
What is the InChIKey of 9-oxo-N-sulfanyl-10H-acridine-3-carboxamide?
The InChIKey is LURHRFDJSHWGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2S/c17-13-9-3-1-2-4-11(9)15-12-7-8(14(18)16-19)5-6-10(12)13/h1-7,19H,(H,15,17)(H,16,18).
What are the key properties of 9-oxo-N-sulfanyl-10H-acridine-3-carboxamide?
9-oxo-N-sulfanyl-10H-acridine-3-carboxamide has a molecular weight of 270.31 g/mol, XLogP of 2.26, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxo-N-sulfanyl-10H-acridine-3-carboxamide is sourced from PubChem (CID 142264856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).