1-(3,4-dimethoxyphenyl)-4-hydroxy-6,7-dimethoxy-N-(4-methoxyphenyl)-N-methyl-2-oxoquinoline-3-carboxamide

C28H28N2O8 — CID 139890765

IUPAC1-(3,4-dimethoxyphenyl)-4-hydroxy-6,7-dimethoxy-N-(4-methoxyphenyl)-N-methyl-2-oxoquinoline-3-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2c(O)c3cc(OC)c(OC)cc3n(-c3ccc(OC)c(OC)c3)c2=O)cc1
InChIInChI=1S/C28H28N2O8/c1-29(16-7-10-18(34-2)11-8-16)27(32)25-26(31)19-14-23(37-5)24(38-6)15-20(19)30(28(25)33)17-9-12-21(35-3)22(13-17)36-4/h7-15,31H,1-6H3
InChIKeyUOSGGLGODZGZOU-UHFFFAOYSA-N
MW520.54 g/mol
LogP4.02
Rot. Bonds8

About 1-(3,4-dimethoxyphenyl)-4-hydroxy-6,7-dimethoxy-N-(4-methoxyphenyl)-N-methyl-2-oxoquinoline-3-carboxamide

1-(3,4-dimethoxyphenyl)-4-hydroxy-6,7-dimethoxy-N-(4-methoxyphenyl)-N-methyl-2-oxoquinoline-3-carboxamide (PubChem CID 139890765) has the molecular formula C28H28N2O8 and a molecular weight of 520.54 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-4-hydroxy-6,7-dimethoxy-N-(4-methoxyphenyl)-N-methyl-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-4-hydroxy-6,7-dimethoxy-N-(4-methoxyphenyl)-N-methyl-2-oxoquinoline-3-carboxamide
PubChem CID139890765
Molecular FormulaC28H28N2O8
Molecular Weight520.54 g/mol
Exact Mass520.18
IUPAC Name1-(3,4-dimethoxyphenyl)-4-hydroxy-6,7-dimethoxy-N-(4-methoxyphenyl)-N-methyl-2-oxoquinoline-3-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2c(O)c3cc(OC)c(OC)cc3n(-c3ccc(OC)c(OC)c3)c2=O)cc1
InChIInChI=1S/C28H28N2O8/c1-29(16-7-10-18(34-2)11-8-16)27(32)25-26(31)19-14-23(37-5)24(38-6)15-20(19)30(28(25)33)17-9-12-21(35-3)22(13-17)36-4/h7-15,31H,1-6H3
InChIKeyUOSGGLGODZGZOU-UHFFFAOYSA-N
XLogP4.02
TPSA108.69 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.54
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-(3,4-dimethoxyphenyl)-4-hydroxy-6,7-dimethoxy-N-(4-methoxyphenyl)-N-methyl-2-oxoquinoline-3-carboxamide with MolForge

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Related Compounds

N-(3,5-difluorophenyl)-4-hydroxy-7-methoxy-1-(4-methoxyphenyl)-N-methyl-2-oxoquinoline-3-carboxamide
CID 139890824
4-hydroxy-N-(4-methoxyphenyl)-N,1-dimethyl-5-methylsulfanyl-2-oxoquinoline-3-carboxamide
CID 54721949
3-bromo-4-methoxy-N-(4-methoxyphenyl)-N-methylbenzamide
CID 62001887
(3,4-dimethoxyphenyl)-methylcarbamothioic S-acid
CID 88695990
N-(3,4-dimethoxyphenyl)-2,3,4-trifluoro-N-methylbenzamide
CID 110425434
N-(3,4-dimethoxyphenyl)-N-methyl-2-oxopropanamide
CID 86744650
2-(3,4-dimethoxyphenyl)-4-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]iminomethyl]-3-hydroxyisoquinolin-1-one
CID 4832576
3-(3,4-dimethoxyphenyl)-2-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 4796928
1-(4-hydroxy-3-methoxyphenyl)-6-methoxy-N-methyl-4-oxo-N-phenylquinoline-3-carboxamide
CID 139890805
10-hydroxy-7-methoxy-N-methyl-4,12-dioxo-N-phenyl-4λ4-thia-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraene-11-carboxamide
CID 54734235
N-(3,4-dimethoxyphenyl)-N-methylthiophene-2-carboxamide
CID 13176318
trans-(1S,2S)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 95302224

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-4-hydroxy-6,7-dimethoxy-N-(4-methoxyphenyl)-N-methyl-2-oxoquinoline-3-carboxamide?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-4-hydroxy-6,7-dimethoxy-N-(4-methoxyphenyl)-N-methyl-2-oxoquinoline-3-carboxamide (CID 139890765) is 1-(3,4-dimethoxyphenyl)-4-hydroxy-6,7-dimethoxy-N-(4-methoxyphenyl)-N-methyl-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-4-hydroxy-6,7-dimethoxy-N-(4-methoxyphenyl)-N-methyl-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-4-hydroxy-6,7-dimethoxy-N-(4-methoxyphenyl)-N-methyl-2-oxoquinoline-3-carboxamide is COc1ccc(N(C)C(=O)c2c(O)c3cc(OC)c(OC)cc3n(-c3ccc(OC)c(OC)c3)c2=O)cc1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-4-hydroxy-6,7-dimethoxy-N-(4-methoxyphenyl)-N-methyl-2-oxoquinoline-3-carboxamide?
The InChIKey is UOSGGLGODZGZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O8/c1-29(16-7-10-18(34-2)11-8-16)27(32)25-26(31)19-14-23(37-5)24(38-6)15-20(19)30(28(25)33)17-9-12-21(35-3)22(13-17)36-4/h7-15,31H,1-6H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-4-hydroxy-6,7-dimethoxy-N-(4-methoxyphenyl)-N-methyl-2-oxoquinoline-3-carboxamide?
1-(3,4-dimethoxyphenyl)-4-hydroxy-6,7-dimethoxy-N-(4-methoxyphenyl)-N-methyl-2-oxoquinoline-3-carboxamide has a molecular weight of 520.54 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-4-hydroxy-6,7-dimethoxy-N-(4-methoxyphenyl)-N-methyl-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 139890765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).