4-hydroxy-N,1-dimethyl-6-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide

C19H18N2O3S — CID 54729748

IUPAC4-hydroxy-N,1-dimethyl-6-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide
SMILESCSc1ccc2c(c1)c(O)c(C(=O)N(C)c1ccccc1)c(=O)n2C
InChIInChI=1S/C19H18N2O3S/c1-20(12-7-5-4-6-8-12)18(23)16-17(22)14-11-13(25-3)9-10-15(14)21(2)19(16)24/h4-11,22H,1-3H3
InChIKeySLLIIFQCPVUDMP-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.24
Rot. Bonds3

About 4-hydroxy-N,1-dimethyl-6-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide

4-hydroxy-N,1-dimethyl-6-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide (PubChem CID 54729748) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 4-hydroxy-N,1-dimethyl-6-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N,1-dimethyl-6-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide
PubChem CID54729748
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name4-hydroxy-N,1-dimethyl-6-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide
SMILESCSc1ccc2c(c1)c(O)c(C(=O)N(C)c1ccccc1)c(=O)n2C
InChIInChI=1S/C19H18N2O3S/c1-20(12-7-5-4-6-8-12)18(23)16-17(22)14-11-13(25-3)9-10-15(14)21(2)19(16)24/h4-11,22H,1-3H3
InChIKeySLLIIFQCPVUDMP-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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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N,1-dimethyl-6-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-N,1-dimethyl-6-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide (CID 54729748) is 4-hydroxy-N,1-dimethyl-6-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N,1-dimethyl-6-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-N,1-dimethyl-6-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide is CSc1ccc2c(c1)c(O)c(C(=O)N(C)c1ccccc1)c(=O)n2C.
What is the InChIKey of 4-hydroxy-N,1-dimethyl-6-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide?
The InChIKey is SLLIIFQCPVUDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-20(12-7-5-4-6-8-12)18(23)16-17(22)14-11-13(25-3)9-10-15(14)21(2)19(16)24/h4-11,22H,1-3H3.
What are the key properties of 4-hydroxy-N,1-dimethyl-6-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide?
4-hydroxy-N,1-dimethyl-6-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-6-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide is sourced from PubChem (CID 54729748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).