4-hydroxy-N,1-dimethyl-5-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide

C19H18N2O3S — CID 54720163

IUPAC4-hydroxy-N,1-dimethyl-5-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide
SMILESCSc1cccc2c1c(O)c(C(=O)N(C)c1ccccc1)c(=O)n2C
InChIInChI=1S/C19H18N2O3S/c1-20(12-8-5-4-6-9-12)18(23)16-17(22)15-13(21(2)19(16)24)10-7-11-14(15)25-3/h4-11,22H,1-3H3
InChIKeyMDZPOCCEFWZVGN-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.24
Rot. Bonds3

About 4-hydroxy-N,1-dimethyl-5-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide

4-hydroxy-N,1-dimethyl-5-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide (PubChem CID 54720163) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 4-hydroxy-N,1-dimethyl-5-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N,1-dimethyl-5-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide
PubChem CID54720163
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name4-hydroxy-N,1-dimethyl-5-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide
SMILESCSc1cccc2c1c(O)c(C(=O)N(C)c1ccccc1)c(=O)n2C
InChIInChI=1S/C19H18N2O3S/c1-20(12-8-5-4-6-9-12)18(23)16-17(22)15-13(21(2)19(16)24)10-7-11-14(15)25-3/h4-11,22H,1-3H3
InChIKeyMDZPOCCEFWZVGN-UHFFFAOYSA-N
XLogP3.24
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Roquinimex
CID 54676478
4-Hydroxy-1-methyl-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid m-tolylamide
CID 54679771
4-hydroxy-1-methyl-2-oxo-N-phenyl-1,2-dihydroquinoline-3-carboxamide
CID 54676449
N-methyl-N-phenyl-1,2-dihydro-4-hydroxy-2-oxo-quinoline-3-carboxamide
CID 54682853
N-benzyl-1-butyl-2-hydroxy-4-oxoquinoline-3-carboxamide
CID 54687815
3-(cyclohexylsulfinyl)-4-hydroxy-1-methyl-2(1H)-quinolinone
CID 54694332
N-benzyl-1-ethyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54695583
1-ethyl-4-hydroxy-N-(2-methylphenyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54677984
N-benzyl-4-hydroxy-2-oxo-1-propyl-1,2-dihydroquinoline-3-carboxamide
CID 54682450
4-Hydroxy-2-oxo-1-pentyl-1,2-dihydro-quinoline-3-carboxylic acid o-tolylamide
CID 54684061
1-ethyl-4-hydroxy-2-oxo-N-phenyl-1,2-dihydroquinoline-3-carboxamide
CID 54684056
4-hydroxy-1-methyl-3-(phenylsulfanyl)-2(1H)-quinolinone
CID 54677757

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N,1-dimethyl-5-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-N,1-dimethyl-5-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide (CID 54720163) is 4-hydroxy-N,1-dimethyl-5-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N,1-dimethyl-5-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-N,1-dimethyl-5-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide is CSc1cccc2c1c(O)c(C(=O)N(C)c1ccccc1)c(=O)n2C.
What is the InChIKey of 4-hydroxy-N,1-dimethyl-5-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide?
The InChIKey is MDZPOCCEFWZVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-20(12-8-5-4-6-9-12)18(23)16-17(22)15-13(21(2)19(16)24)10-7-11-14(15)25-3/h4-11,22H,1-3H3.
What are the key properties of 4-hydroxy-N,1-dimethyl-5-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide?
4-hydroxy-N,1-dimethyl-5-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N,1-dimethyl-5-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide is sourced from PubChem (CID 54720163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).