4-hydroxy-N-(4-methoxyphenyl)-N,1-dimethyl-5-methylsulfanyl-2-oxoquinoline-3-carboxamide

C20H20N2O4S — CID 54721949

IUPAC4-hydroxy-N-(4-methoxyphenyl)-N,1-dimethyl-5-methylsulfanyl-2-oxoquinoline-3-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2c(O)c3c(SC)cccc3n(C)c2=O)cc1
InChIInChI=1S/C20H20N2O4S/c1-21(12-8-10-13(26-3)11-9-12)19(24)17-18(23)16-14(22(2)20(17)25)6-5-7-15(16)27-4/h5-11,23H,1-4H3
InChIKeyXITYYGUJUGZKDL-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.25
Rot. Bonds4

About 4-hydroxy-N-(4-methoxyphenyl)-N,1-dimethyl-5-methylsulfanyl-2-oxoquinoline-3-carboxamide

4-hydroxy-N-(4-methoxyphenyl)-N,1-dimethyl-5-methylsulfanyl-2-oxoquinoline-3-carboxamide (PubChem CID 54721949) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is 4-hydroxy-N-(4-methoxyphenyl)-N,1-dimethyl-5-methylsulfanyl-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(4-methoxyphenyl)-N,1-dimethyl-5-methylsulfanyl-2-oxoquinoline-3-carboxamide
PubChem CID54721949
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name4-hydroxy-N-(4-methoxyphenyl)-N,1-dimethyl-5-methylsulfanyl-2-oxoquinoline-3-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2c(O)c3c(SC)cccc3n(C)c2=O)cc1
InChIInChI=1S/C20H20N2O4S/c1-21(12-8-10-13(26-3)11-9-12)19(24)17-18(23)16-14(22(2)20(17)25)6-5-7-15(16)27-4/h5-11,23H,1-4H3
InChIKeyXITYYGUJUGZKDL-UHFFFAOYSA-N
XLogP3.25
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-hydroxy-N,1-dimethyl-2-oxo-N-phenyl-5-(trifluoromethyl)quinoline-3-carboxamide
CID 54688293
4-hydroxy-5-methoxy-N,1-dimethyl-2-oxo-N-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide
CID 54676573
N-(2,5-difluorophenyl)-4-hydroxy-5-methoxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide
CID 54682588
N-ethyl-4-hydroxy-5-methoxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 54684693
N-ethyl-N-(3-fluorophenyl)-4-hydroxy-5-methoxy-1-methyl-2-oxoquinoline-3-carboxamide
CID 54732868
1-(3,4-dimethoxyphenyl)-4-hydroxy-6,7-dimethoxy-N-(4-methoxyphenyl)-N-methyl-2-oxoquinoline-3-carboxamide
CID 139890765
5-chloro-N-(2,5-difluorophenyl)-4-hydroxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide
CID 54697828
methyl 2-[(4-hydroxy-5-methoxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoate
CID 67387665
N-(3,5-difluorophenyl)-4-hydroxy-7-methoxy-1-(4-methoxyphenyl)-N-methyl-2-oxoquinoline-3-carboxamide
CID 139890824
N-(2,4-difluorophenyl)-N-ethyl-4-hydroxy-5-methoxy-1-methyl-2-oxoquinoline-3-carboxamide
CID 70122366
4-(ethylamino)-N,1,5-trimethyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 22461072
5-chloro-N-ethyl-4-hydroxy-1-methyl-N-(4-methylphenyl)-2-oxoquinoline-3-carboxamide
CID 70122373

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(4-methoxyphenyl)-N,1-dimethyl-5-methylsulfanyl-2-oxoquinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-N-(4-methoxyphenyl)-N,1-dimethyl-5-methylsulfanyl-2-oxoquinoline-3-carboxamide (CID 54721949) is 4-hydroxy-N-(4-methoxyphenyl)-N,1-dimethyl-5-methylsulfanyl-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(4-methoxyphenyl)-N,1-dimethyl-5-methylsulfanyl-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-(4-methoxyphenyl)-N,1-dimethyl-5-methylsulfanyl-2-oxoquinoline-3-carboxamide is COc1ccc(N(C)C(=O)c2c(O)c3c(SC)cccc3n(C)c2=O)cc1.
What is the InChIKey of 4-hydroxy-N-(4-methoxyphenyl)-N,1-dimethyl-5-methylsulfanyl-2-oxoquinoline-3-carboxamide?
The InChIKey is XITYYGUJUGZKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-21(12-8-10-13(26-3)11-9-12)19(24)17-18(23)16-14(22(2)20(17)25)6-5-7-15(16)27-4/h5-11,23H,1-4H3.
What are the key properties of 4-hydroxy-N-(4-methoxyphenyl)-N,1-dimethyl-5-methylsulfanyl-2-oxoquinoline-3-carboxamide?
4-hydroxy-N-(4-methoxyphenyl)-N,1-dimethyl-5-methylsulfanyl-2-oxoquinoline-3-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(4-methoxyphenyl)-N,1-dimethyl-5-methylsulfanyl-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 54721949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).