1-(4-hydroxy-3-methoxyphenyl)-6-methoxy-N-methyl-4-oxo-N-phenylquinoline-3-carboxamide

C25H22N2O5 — CID 139890805

IUPAC1-(4-hydroxy-3-methoxyphenyl)-6-methoxy-N-methyl-4-oxo-N-phenylquinoline-3-carboxamide
SMILESCOc1ccc2c(c1)c(=O)c(C(=O)N(C)c1ccccc1)cn2-c1ccc(O)c(OC)c1
InChIInChI=1S/C25H22N2O5/c1-26(16-7-5-4-6-8-16)25(30)20-15-27(17-9-12-22(28)23(13-17)32-3)21-11-10-18(31-2)14-19(21)24(20)29/h4-15,28H,1-3H3
InChIKeyJZKPXVJEAVPZQW-UHFFFAOYSA-N
MW430.46 g/mol
LogP3.99
Rot. Bonds5

About 1-(4-hydroxy-3-methoxyphenyl)-6-methoxy-N-methyl-4-oxo-N-phenylquinoline-3-carboxamide

1-(4-hydroxy-3-methoxyphenyl)-6-methoxy-N-methyl-4-oxo-N-phenylquinoline-3-carboxamide (PubChem CID 139890805) has the molecular formula C25H22N2O5 and a molecular weight of 430.46 g/mol. Its IUPAC name is 1-(4-hydroxy-3-methoxyphenyl)-6-methoxy-N-methyl-4-oxo-N-phenylquinoline-3-carboxamide.

Molecular Properties

Compound Name1-(4-hydroxy-3-methoxyphenyl)-6-methoxy-N-methyl-4-oxo-N-phenylquinoline-3-carboxamide
PubChem CID139890805
Molecular FormulaC25H22N2O5
Molecular Weight430.46 g/mol
Exact Mass430.15
IUPAC Name1-(4-hydroxy-3-methoxyphenyl)-6-methoxy-N-methyl-4-oxo-N-phenylquinoline-3-carboxamide
SMILESCOc1ccc2c(c1)c(=O)c(C(=O)N(C)c1ccccc1)cn2-c1ccc(O)c(OC)c1
InChIInChI=1S/C25H22N2O5/c1-26(16-7-5-4-6-8-16)25(30)20-15-27(17-9-12-22(28)23(13-17)32-3)21-11-10-18(31-2)14-19(21)24(20)29/h4-15,28H,1-3H3
InChIKeyJZKPXVJEAVPZQW-UHFFFAOYSA-N
XLogP3.99
TPSA81.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-dimethoxyphenyl)-6-methoxy-4-oxoquinoline-3-carboxylic acid
CID 139890801
2,5-dimethoxy-N-methyl-N-phenylbenzamide
CID 16849123
N-(3,5-difluorophenyl)-1-(3,5-dimethoxyphenyl)-N-methyl-4-oxo-7-phenylmethoxyquinoline-3-carboxamide
CID 139963965
5-(4-methoxyphenyl)-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
CID 70481800
2-fluoro-4-methoxy-N-methyl-N-phenylbenzamide
CID 39963889
N-(4-bromophenyl)-2-(3-methoxyphenyl)-N-methyl-1-oxoisoquinoline-4-carboxamide
CID 22549789
2,5-dihydroxy-N-methyl-N-phenylbenzamide
CID 113347039
2,3,4-trimethoxy-N-methyl-N-phenylbenzamide
CID 51161127
2-amino-4-methoxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 115413114
3-hydroxy-4-methoxy-N-methyl-N-phenylbenzamide
CID 79725609
2-(3-benzoyl-6-methoxy-4-oxoquinolin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 20868843
1-(3,4-dimethoxyphenyl)-4-hydroxy-6,7-dimethoxy-N-(4-methoxyphenyl)-N-methyl-2-oxoquinoline-3-carboxamide
CID 139890765

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-methoxyphenyl)-6-methoxy-N-methyl-4-oxo-N-phenylquinoline-3-carboxamide?
The IUPAC name of 1-(4-hydroxy-3-methoxyphenyl)-6-methoxy-N-methyl-4-oxo-N-phenylquinoline-3-carboxamide (CID 139890805) is 1-(4-hydroxy-3-methoxyphenyl)-6-methoxy-N-methyl-4-oxo-N-phenylquinoline-3-carboxamide.
What is the SMILES notation for 1-(4-hydroxy-3-methoxyphenyl)-6-methoxy-N-methyl-4-oxo-N-phenylquinoline-3-carboxamide?
The canonical SMILES for 1-(4-hydroxy-3-methoxyphenyl)-6-methoxy-N-methyl-4-oxo-N-phenylquinoline-3-carboxamide is COc1ccc2c(c1)c(=O)c(C(=O)N(C)c1ccccc1)cn2-c1ccc(O)c(OC)c1.
What is the InChIKey of 1-(4-hydroxy-3-methoxyphenyl)-6-methoxy-N-methyl-4-oxo-N-phenylquinoline-3-carboxamide?
The InChIKey is JZKPXVJEAVPZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O5/c1-26(16-7-5-4-6-8-16)25(30)20-15-27(17-9-12-22(28)23(13-17)32-3)21-11-10-18(31-2)14-19(21)24(20)29/h4-15,28H,1-3H3.
What are the key properties of 1-(4-hydroxy-3-methoxyphenyl)-6-methoxy-N-methyl-4-oxo-N-phenylquinoline-3-carboxamide?
1-(4-hydroxy-3-methoxyphenyl)-6-methoxy-N-methyl-4-oxo-N-phenylquinoline-3-carboxamide has a molecular weight of 430.46 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3-methoxyphenyl)-6-methoxy-N-methyl-4-oxo-N-phenylquinoline-3-carboxamide is sourced from PubChem (CID 139890805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).