6-methoxy-8-[(4-methoxybenzoyl)amino]-4-oxochromene-2-carboxylic acid

C19H15NO7 — CID 73294510

IUPAC6-methoxy-8-[(4-methoxybenzoyl)amino]-4-oxochromene-2-carboxylic acid
SMILESCOc1ccc(C(=O)Nc2cc(OC)cc3c(=O)cc(C(=O)O)oc23)cc1
InChIInChI=1S/C19H15NO7/c1-25-11-5-3-10(4-6-11)18(22)20-14-8-12(26-2)7-13-15(21)9-16(19(23)24)27-17(13)14/h3-9H,1-2H3,(H,20,22)(H,23,24)
InChIKeyUVEVEDKDYQVRGA-UHFFFAOYSA-N
MW369.33 g/mol
LogP2.76
Rot. Bonds5

About 6-methoxy-8-[(4-methoxybenzoyl)amino]-4-oxochromene-2-carboxylic acid

6-methoxy-8-[(4-methoxybenzoyl)amino]-4-oxochromene-2-carboxylic acid (PubChem CID 73294510) has the molecular formula C19H15NO7 and a molecular weight of 369.33 g/mol. Its IUPAC name is 6-methoxy-8-[(4-methoxybenzoyl)amino]-4-oxochromene-2-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-8-[(4-methoxybenzoyl)amino]-4-oxochromene-2-carboxylic acid
PubChem CID73294510
Molecular FormulaC19H15NO7
Molecular Weight369.33 g/mol
Exact Mass369.08
IUPAC Name6-methoxy-8-[(4-methoxybenzoyl)amino]-4-oxochromene-2-carboxylic acid
SMILESCOc1ccc(C(=O)Nc2cc(OC)cc3c(=O)cc(C(=O)O)oc23)cc1
InChIInChI=1S/C19H15NO7/c1-25-11-5-3-10(4-6-11)18(22)20-14-8-12(26-2)7-13-15(21)9-16(19(23)24)27-17(13)14/h3-9H,1-2H3,(H,20,22)(H,23,24)
InChIKeyUVEVEDKDYQVRGA-UHFFFAOYSA-N
XLogP2.76
TPSA115.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 3,4-dimethoxybenzoate
CID 3324537
N-(3-hydroxyphenyl)-6-methoxy-4-oxochromene-3-carboxamide
CID 137641978
4-oxo-8-[[(E)-3-(4-pentylphenyl)prop-2-enoyl]amino]chromene-2-carboxylic acid
CID 13997664
6-Bromo-8-(4-methoxybenzamido)-4-oxo-4h-chromene-2-carboxylic acid
CID 71733843
N-(3-methoxyphenyl)-4-oxo-4H-chromene-2-carboxamide
CID 4990145
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(4-ethylphenoxy)acetate
CID 2370662
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(2,6-dimethylphenoxy)acetate
CID 2396297
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 2642319
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 4-phenoxybutanoate
CID 3978434
[2-(3-Ethylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 4803225
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 4-(4-methoxyphenoxy)butanoate
CID 7147482
N-(2,5-dimethoxyphenyl)-5,7-dimethyl-4-oxo-4H-chromene-2-carboxamide
CID 16013402

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-8-[(4-methoxybenzoyl)amino]-4-oxochromene-2-carboxylic acid?
The IUPAC name of 6-methoxy-8-[(4-methoxybenzoyl)amino]-4-oxochromene-2-carboxylic acid (CID 73294510) is 6-methoxy-8-[(4-methoxybenzoyl)amino]-4-oxochromene-2-carboxylic acid.
What is the SMILES notation for 6-methoxy-8-[(4-methoxybenzoyl)amino]-4-oxochromene-2-carboxylic acid?
The canonical SMILES for 6-methoxy-8-[(4-methoxybenzoyl)amino]-4-oxochromene-2-carboxylic acid is COc1ccc(C(=O)Nc2cc(OC)cc3c(=O)cc(C(=O)O)oc23)cc1.
What is the InChIKey of 6-methoxy-8-[(4-methoxybenzoyl)amino]-4-oxochromene-2-carboxylic acid?
The InChIKey is UVEVEDKDYQVRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO7/c1-25-11-5-3-10(4-6-11)18(22)20-14-8-12(26-2)7-13-15(21)9-16(19(23)24)27-17(13)14/h3-9H,1-2H3,(H,20,22)(H,23,24).
What are the key properties of 6-methoxy-8-[(4-methoxybenzoyl)amino]-4-oxochromene-2-carboxylic acid?
6-methoxy-8-[(4-methoxybenzoyl)amino]-4-oxochromene-2-carboxylic acid has a molecular weight of 369.33 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-8-[(4-methoxybenzoyl)amino]-4-oxochromene-2-carboxylic acid is sourced from PubChem (CID 73294510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).