1-ethyl-4-hydroxy-N-methyl-6-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide

C20H20N2O3S — CID 54732760

IUPAC1-ethyl-4-hydroxy-N-methyl-6-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide
SMILESCCn1c(=O)c(C(=O)N(C)c2ccccc2)c(O)c2cc(SC)ccc21
InChIInChI=1S/C20H20N2O3S/c1-4-22-16-11-10-14(26-3)12-15(16)18(23)17(20(22)25)19(24)21(2)13-8-6-5-7-9-13/h5-12,23H,4H2,1-3H3
InChIKeyHEIUICWWUXQAOA-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.73
Rot. Bonds4

About 1-ethyl-4-hydroxy-N-methyl-6-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide

1-ethyl-4-hydroxy-N-methyl-6-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide (PubChem CID 54732760) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 1-ethyl-4-hydroxy-N-methyl-6-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-hydroxy-N-methyl-6-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide
PubChem CID54732760
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name1-ethyl-4-hydroxy-N-methyl-6-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide
SMILESCCn1c(=O)c(C(=O)N(C)c2ccccc2)c(O)c2cc(SC)ccc21
InChIInChI=1S/C20H20N2O3S/c1-4-22-16-11-10-14(26-3)12-15(16)18(23)17(20(22)25)19(24)21(2)13-8-6-5-7-9-13/h5-12,23H,4H2,1-3H3
InChIKeyHEIUICWWUXQAOA-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-hydroxy-N-methyl-6-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide?
The IUPAC name of 1-ethyl-4-hydroxy-N-methyl-6-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide (CID 54732760) is 1-ethyl-4-hydroxy-N-methyl-6-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide.
What is the SMILES notation for 1-ethyl-4-hydroxy-N-methyl-6-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide?
The canonical SMILES for 1-ethyl-4-hydroxy-N-methyl-6-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide is CCn1c(=O)c(C(=O)N(C)c2ccccc2)c(O)c2cc(SC)ccc21.
What is the InChIKey of 1-ethyl-4-hydroxy-N-methyl-6-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide?
The InChIKey is HEIUICWWUXQAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-4-22-16-11-10-14(26-3)12-15(16)18(23)17(20(22)25)19(24)21(2)13-8-6-5-7-9-13/h5-12,23H,4H2,1-3H3.
What are the key properties of 1-ethyl-4-hydroxy-N-methyl-6-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide?
1-ethyl-4-hydroxy-N-methyl-6-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-hydroxy-N-methyl-6-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide is sourced from PubChem (CID 54732760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).