4-hydroxy-1-methyl-3-(5-methyl-3-sulfanylidene-1,2-dihydro-1,2,4-triazepin-7-yl)quinolin-2-one

C15H14N4O2S — CID 135481618

IUPAC4-hydroxy-1-methyl-3-(5-methyl-3-sulfanylidene-1,2-dihydro-1,2,4-triazepin-7-yl)quinolin-2-one
SMILESCC1=NC(=S)NNC(c2c(O)c3ccccc3n(C)c2=O)=C1
InChIInChI=1S/C15H14N4O2S/c1-8-7-10(17-18-15(22)16-8)12-13(20)9-5-3-4-6-11(9)19(2)14(12)21/h3-7,17,20H,1-2H3,(H,18,22)
InChIKeyHCVAVKLUPCBRQC-UHFFFAOYSA-N
MW314.37 g/mol
LogP1.44
Rot. Bonds1

About 4-hydroxy-1-methyl-3-(5-methyl-3-sulfanylidene-1,2-dihydro-1,2,4-triazepin-7-yl)quinolin-2-one

4-hydroxy-1-methyl-3-(5-methyl-3-sulfanylidene-1,2-dihydro-1,2,4-triazepin-7-yl)quinolin-2-one (PubChem CID 135481618) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-3-(5-methyl-3-sulfanylidene-1,2-dihydro-1,2,4-triazepin-7-yl)quinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-methyl-3-(5-methyl-3-sulfanylidene-1,2-dihydro-1,2,4-triazepin-7-yl)quinolin-2-one
PubChem CID135481618
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name4-hydroxy-1-methyl-3-(5-methyl-3-sulfanylidene-1,2-dihydro-1,2,4-triazepin-7-yl)quinolin-2-one
SMILESCC1=NC(=S)NNC(c2c(O)c3ccccc3n(C)c2=O)=C1
InChIInChI=1S/C15H14N4O2S/c1-8-7-10(17-18-15(22)16-8)12-13(20)9-5-3-4-6-11(9)19(2)14(12)21/h3-7,17,20H,1-2H3,(H,18,22)
InChIKeyHCVAVKLUPCBRQC-UHFFFAOYSA-N
XLogP1.44
TPSA78.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-hydroxy-1-methylquinolin-2-one
CID 135537301
ethane;4-hydroxy-1,3-dimethylquinolin-2-one
CID 91565927
2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-3H-quinazolin-4-one
CID 135421568
3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-1-phenyl-4H-pyridazine-5,6-dione
CID 135521187
4-hydroxy-1-methyl-3-[(3S)-3-methyl-4-phenyl-5-sulfanylidene-1,2,4-triazolidin-3-yl]quinolin-2-one
CID 54746636
3-acetyl-4-hydroxy-1-methylquinolin-2-one
CID 54697138
ethane;4-hydroxy-1-methyl-3-(1-methyl-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-3-yl)quinolin-2-one
CID 136599053
ethane;3-hydroxy-1,2-dimethylquinolin-4-one
CID 91289410
3-[(2R)-2-(furan-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]-4-hydroxy-1-methylquinolin-2-one
CID 136829145
3-hydroxy-1-methyl-4-pyridin-4-ylquinolin-2-one
CID 137027848
4-acetyl-3-hydroxy-1-methylquinolin-2-one
CID 134987022
5,7-dimethyl-13H-quinolino[4,3-b][1,5]benzodiazepin-6-one
CID 135482672

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-3-(5-methyl-3-sulfanylidene-1,2-dihydro-1,2,4-triazepin-7-yl)quinolin-2-one?
The IUPAC name of 4-hydroxy-1-methyl-3-(5-methyl-3-sulfanylidene-1,2-dihydro-1,2,4-triazepin-7-yl)quinolin-2-one (CID 135481618) is 4-hydroxy-1-methyl-3-(5-methyl-3-sulfanylidene-1,2-dihydro-1,2,4-triazepin-7-yl)quinolin-2-one.
What is the SMILES notation for 4-hydroxy-1-methyl-3-(5-methyl-3-sulfanylidene-1,2-dihydro-1,2,4-triazepin-7-yl)quinolin-2-one?
The canonical SMILES for 4-hydroxy-1-methyl-3-(5-methyl-3-sulfanylidene-1,2-dihydro-1,2,4-triazepin-7-yl)quinolin-2-one is CC1=NC(=S)NNC(c2c(O)c3ccccc3n(C)c2=O)=C1.
What is the InChIKey of 4-hydroxy-1-methyl-3-(5-methyl-3-sulfanylidene-1,2-dihydro-1,2,4-triazepin-7-yl)quinolin-2-one?
The InChIKey is HCVAVKLUPCBRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-8-7-10(17-18-15(22)16-8)12-13(20)9-5-3-4-6-11(9)19(2)14(12)21/h3-7,17,20H,1-2H3,(H,18,22).
What are the key properties of 4-hydroxy-1-methyl-3-(5-methyl-3-sulfanylidene-1,2-dihydro-1,2,4-triazepin-7-yl)quinolin-2-one?
4-hydroxy-1-methyl-3-(5-methyl-3-sulfanylidene-1,2-dihydro-1,2,4-triazepin-7-yl)quinolin-2-one has a molecular weight of 314.37 g/mol, XLogP of 1.44, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-3-(5-methyl-3-sulfanylidene-1,2-dihydro-1,2,4-triazepin-7-yl)quinolin-2-one is sourced from PubChem (CID 135481618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).