[2-(4-methoxyphenyl)-2-oxoethyl] 3-hydroxy-2-(4-methoxyphenyl)-4-oxo-1H-quinoline-7-carboxylate

C26H21NO7 — CID 153379031

IUPAC[2-(4-methoxyphenyl)-2-oxoethyl] 3-hydroxy-2-(4-methoxyphenyl)-4-oxo-1H-quinoline-7-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)c2ccc3c(=O)c(O)c(-c4ccc(OC)cc4)[nH]c3c2)cc1
InChIInChI=1S/C26H21NO7/c1-32-18-8-3-15(4-9-18)22(28)14-34-26(31)17-7-12-20-21(13-17)27-23(25(30)24(20)29)16-5-10-19(33-2)11-6-16/h3-13,30H,14H2,1-2H3,(H,27,29)
InChIKeySCEILXGFYVQUBK-UHFFFAOYSA-N
MW459.45 g/mol
LogP3.96
Rot. Bonds7

About [2-(4-methoxyphenyl)-2-oxoethyl] 3-hydroxy-2-(4-methoxyphenyl)-4-oxo-1H-quinoline-7-carboxylate

[2-(4-methoxyphenyl)-2-oxoethyl] 3-hydroxy-2-(4-methoxyphenyl)-4-oxo-1H-quinoline-7-carboxylate (PubChem CID 153379031) has the molecular formula C26H21NO7 and a molecular weight of 459.45 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-2-oxoethyl] 3-hydroxy-2-(4-methoxyphenyl)-4-oxo-1H-quinoline-7-carboxylate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-2-oxoethyl] 3-hydroxy-2-(4-methoxyphenyl)-4-oxo-1H-quinoline-7-carboxylate
PubChem CID153379031
Molecular FormulaC26H21NO7
Molecular Weight459.45 g/mol
Exact Mass459.13
IUPAC Name[2-(4-methoxyphenyl)-2-oxoethyl] 3-hydroxy-2-(4-methoxyphenyl)-4-oxo-1H-quinoline-7-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)c2ccc3c(=O)c(O)c(-c4ccc(OC)cc4)[nH]c3c2)cc1
InChIInChI=1S/C26H21NO7/c1-32-18-8-3-15(4-9-18)22(28)14-34-26(31)17-7-12-20-21(13-17)27-23(25(30)24(20)29)16-5-10-19(33-2)11-6-16/h3-13,30H,14H2,1-2H3,(H,27,29)
InChIKeySCEILXGFYVQUBK-UHFFFAOYSA-N
XLogP3.96
TPSA114.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.45
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-(4-methoxyphenyl)-2-oxoethyl] 3-hydroxy-2-(4-methoxyphenyl)-4-oxo-1H-quinoline-7-carboxylate with MolForge

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Related Compounds

3-hydroxy-2-(4-methoxyphenyl)-4-oxo-1H-quinoline-7-carboxylic acid
CID 153379054
[2-(2-iodophenyl)-2-oxoethyl] 3-hydroxy-2-(2-iodophenyl)-4-oxo-1H-quinoline-7-carboxylate
CID 11664630
[2-(4-methoxyphenyl)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133621
(2-oxo-2-pyridin-4-ylethyl) 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 23831665
[2-(4-methoxyphenyl)-2-oxoethyl] anthracene-9-carboxylate
CID 7786608
ethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate
CID 3022167
[2-oxo-2-(4-phenylphenyl)ethyl] 3-methoxybenzoate
CID 795003
3-hydroxy-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-4-oxo-1H-quinoline-7-carboxamide
CID 16745860
[2-(4-bromophenyl)-2-oxoethyl] 2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxylate
CID 23831685
[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 1216905
[2-(4-methoxyphenyl)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 7991637
[2-(4-ethylphenyl)-2-oxoethyl] 4-methoxybenzoate
CID 902766

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 3-hydroxy-2-(4-methoxyphenyl)-4-oxo-1H-quinoline-7-carboxylate?
The IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 3-hydroxy-2-(4-methoxyphenyl)-4-oxo-1H-quinoline-7-carboxylate (CID 153379031) is [2-(4-methoxyphenyl)-2-oxoethyl] 3-hydroxy-2-(4-methoxyphenyl)-4-oxo-1H-quinoline-7-carboxylate.
What is the SMILES notation for [2-(4-methoxyphenyl)-2-oxoethyl] 3-hydroxy-2-(4-methoxyphenyl)-4-oxo-1H-quinoline-7-carboxylate?
The canonical SMILES for [2-(4-methoxyphenyl)-2-oxoethyl] 3-hydroxy-2-(4-methoxyphenyl)-4-oxo-1H-quinoline-7-carboxylate is COc1ccc(C(=O)COC(=O)c2ccc3c(=O)c(O)c(-c4ccc(OC)cc4)[nH]c3c2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-2-oxoethyl] 3-hydroxy-2-(4-methoxyphenyl)-4-oxo-1H-quinoline-7-carboxylate?
The InChIKey is SCEILXGFYVQUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO7/c1-32-18-8-3-15(4-9-18)22(28)14-34-26(31)17-7-12-20-21(13-17)27-23(25(30)24(20)29)16-5-10-19(33-2)11-6-16/h3-13,30H,14H2,1-2H3,(H,27,29).
What are the key properties of [2-(4-methoxyphenyl)-2-oxoethyl] 3-hydroxy-2-(4-methoxyphenyl)-4-oxo-1H-quinoline-7-carboxylate?
[2-(4-methoxyphenyl)-2-oxoethyl] 3-hydroxy-2-(4-methoxyphenyl)-4-oxo-1H-quinoline-7-carboxylate has a molecular weight of 459.45 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-2-oxoethyl] 3-hydroxy-2-(4-methoxyphenyl)-4-oxo-1H-quinoline-7-carboxylate is sourced from PubChem (CID 153379031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).