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

C20H20N2O3S — CID 54732564

IUPAC6-ethylsulfanyl-4-hydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide
SMILESCCSc1ccc2c(c1)c(O)c(C(=O)N(C)c1ccccc1)c(=O)n2C
InChIInChI=1S/C20H20N2O3S/c1-4-26-14-10-11-16-15(12-14)18(23)17(20(25)22(16)3)19(24)21(2)13-8-6-5-7-9-13/h5-12,23H,4H2,1-3H3
InChIKeyXLSFNDGKFXENKA-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.63
Rot. Bonds4

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

6-ethylsulfanyl-4-hydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide (PubChem CID 54732564) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 6-ethylsulfanyl-4-hydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide.

Molecular Properties

Compound Name6-ethylsulfanyl-4-hydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide
PubChem CID54732564
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name6-ethylsulfanyl-4-hydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide
SMILESCCSc1ccc2c(c1)c(O)c(C(=O)N(C)c1ccccc1)c(=O)n2C
InChIInChI=1S/C20H20N2O3S/c1-4-26-14-10-11-16-15(12-14)18(23)17(20(25)22(16)3)19(24)21(2)13-8-6-5-7-9-13/h5-12,23H,4H2,1-3H3
InChIKeyXLSFNDGKFXENKA-UHFFFAOYSA-N
XLogP3.63
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfanyl-4-hydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide?
The IUPAC name of 6-ethylsulfanyl-4-hydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide (CID 54732564) is 6-ethylsulfanyl-4-hydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide.
What is the SMILES notation for 6-ethylsulfanyl-4-hydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide?
The canonical SMILES for 6-ethylsulfanyl-4-hydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide is CCSc1ccc2c(c1)c(O)c(C(=O)N(C)c1ccccc1)c(=O)n2C.
What is the InChIKey of 6-ethylsulfanyl-4-hydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide?
The InChIKey is XLSFNDGKFXENKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-4-26-14-10-11-16-15(12-14)18(23)17(20(25)22(16)3)19(24)21(2)13-8-6-5-7-9-13/h5-12,23H,4H2,1-3H3.
What are the key properties of 6-ethylsulfanyl-4-hydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide?
6-ethylsulfanyl-4-hydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfanyl-4-hydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide is sourced from PubChem (CID 54732564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).