N-ethyl-4-hydroxy-1-methyl-5-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide

C20H20N2O3S — CID 54708534

IUPACN-ethyl-4-hydroxy-1-methyl-5-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide
SMILESCCN(C(=O)c1c(O)c2c(SC)cccc2n(C)c1=O)c1ccccc1
InChIInChI=1S/C20H20N2O3S/c1-4-22(13-9-6-5-7-10-13)20(25)17-18(23)16-14(21(2)19(17)24)11-8-12-15(16)26-3/h5-12,23H,4H2,1-3H3
InChIKeyWDMLDYHYIHRCNE-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.63
Rot. Bonds4

About N-ethyl-4-hydroxy-1-methyl-5-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide

N-ethyl-4-hydroxy-1-methyl-5-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide (PubChem CID 54708534) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-ethyl-4-hydroxy-1-methyl-5-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-hydroxy-1-methyl-5-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide
PubChem CID54708534
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC NameN-ethyl-4-hydroxy-1-methyl-5-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide
SMILESCCN(C(=O)c1c(O)c2c(SC)cccc2n(C)c1=O)c1ccccc1
InChIInChI=1S/C20H20N2O3S/c1-4-22(13-9-6-5-7-10-13)20(25)17-18(23)16-14(21(2)19(17)24)11-8-12-15(16)26-3/h5-12,23H,4H2,1-3H3
InChIKeyWDMLDYHYIHRCNE-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 N-ethyl-4-hydroxy-1-methyl-5-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide?
The IUPAC name of N-ethyl-4-hydroxy-1-methyl-5-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide (CID 54708534) is N-ethyl-4-hydroxy-1-methyl-5-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide.
What is the SMILES notation for N-ethyl-4-hydroxy-1-methyl-5-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide?
The canonical SMILES for N-ethyl-4-hydroxy-1-methyl-5-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide is CCN(C(=O)c1c(O)c2c(SC)cccc2n(C)c1=O)c1ccccc1.
What is the InChIKey of N-ethyl-4-hydroxy-1-methyl-5-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide?
The InChIKey is WDMLDYHYIHRCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-4-22(13-9-6-5-7-10-13)20(25)17-18(23)16-14(21(2)19(17)24)11-8-12-15(16)26-3/h5-12,23H,4H2,1-3H3.
What are the key properties of N-ethyl-4-hydroxy-1-methyl-5-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide?
N-ethyl-4-hydroxy-1-methyl-5-methylsulfanyl-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 N-ethyl-4-hydroxy-1-methyl-5-methylsulfanyl-2-oxo-N-phenylquinoline-3-carboxamide is sourced from PubChem (CID 54708534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).