2-hydroxy-3-[(8-methoxy-2-oxochromene-3-carbonyl)amino]benzoic acid

C18H13NO7 — CID 66485426

IUPAC2-hydroxy-3-[(8-methoxy-2-oxochromene-3-carbonyl)amino]benzoic acid
SMILESCOc1cccc2cc(C(=O)Nc3cccc(C(=O)O)c3O)c(=O)oc12
InChIInChI=1S/C18H13NO7/c1-25-13-7-2-4-9-8-11(18(24)26-15(9)13)16(21)19-12-6-3-5-10(14(12)20)17(22)23/h2-8,20H,1H3,(H,19,21)(H,22,23)
InChIKeyUPFAZTUSJJAOLF-UHFFFAOYSA-N
MW355.30 g/mol
LogP2.46
Rot. Bonds4

About 2-hydroxy-3-[(8-methoxy-2-oxochromene-3-carbonyl)amino]benzoic acid

2-hydroxy-3-[(8-methoxy-2-oxochromene-3-carbonyl)amino]benzoic acid (PubChem CID 66485426) has the molecular formula C18H13NO7 and a molecular weight of 355.30 g/mol. Its IUPAC name is 2-hydroxy-3-[(8-methoxy-2-oxochromene-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[(8-methoxy-2-oxochromene-3-carbonyl)amino]benzoic acid
PubChem CID66485426
Molecular FormulaC18H13NO7
Molecular Weight355.30 g/mol
Exact Mass355.07
IUPAC Name2-hydroxy-3-[(8-methoxy-2-oxochromene-3-carbonyl)amino]benzoic acid
SMILESCOc1cccc2cc(C(=O)Nc3cccc(C(=O)O)c3O)c(=O)oc12
InChIInChI=1S/C18H13NO7/c1-25-13-7-2-4-9-8-11(18(24)26-15(9)13)16(21)19-12-6-3-5-10(14(12)20)17(22)23/h2-8,20H,1H3,(H,19,21)(H,22,23)
InChIKeyUPFAZTUSJJAOLF-UHFFFAOYSA-N
XLogP2.46
TPSA126.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluorophenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 749756
N-(2-cyanophenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 17087466
N-(2-ethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 708002
8-methoxy-2-oxo-N-[2-(trifluoromethyl)phenyl]chromene-3-carboxamide
CID 1307889
N-(2,5-dimethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 16896367
N-(4-bromo-2-methylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 9264254
N-(2,6-diethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 7470756
N-[2-[(4-bromophenyl)sulfonylamino]phenyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 10578108
8-methoxy-N-(2-morpholin-4-ylpyridin-1-ium-3-yl)-2-oxochromene-3-carboxamide
CID 7224115
(2S)-2-[(8-methoxy-2-oxochromene-3-carbonyl)amino]propanoic acid
CID 10493768
6-bromo-N-(2-hydroxyphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 1288481
8-methoxy-2-oxo-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]chromene-3-carboxamide
CID 122282867

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(8-methoxy-2-oxochromene-3-carbonyl)amino]benzoic acid?
The IUPAC name of 2-hydroxy-3-[(8-methoxy-2-oxochromene-3-carbonyl)amino]benzoic acid (CID 66485426) is 2-hydroxy-3-[(8-methoxy-2-oxochromene-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-hydroxy-3-[(8-methoxy-2-oxochromene-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-hydroxy-3-[(8-methoxy-2-oxochromene-3-carbonyl)amino]benzoic acid is COc1cccc2cc(C(=O)Nc3cccc(C(=O)O)c3O)c(=O)oc12.
What is the InChIKey of 2-hydroxy-3-[(8-methoxy-2-oxochromene-3-carbonyl)amino]benzoic acid?
The InChIKey is UPFAZTUSJJAOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO7/c1-25-13-7-2-4-9-8-11(18(24)26-15(9)13)16(21)19-12-6-3-5-10(14(12)20)17(22)23/h2-8,20H,1H3,(H,19,21)(H,22,23).
What are the key properties of 2-hydroxy-3-[(8-methoxy-2-oxochromene-3-carbonyl)amino]benzoic acid?
2-hydroxy-3-[(8-methoxy-2-oxochromene-3-carbonyl)amino]benzoic acid has a molecular weight of 355.30 g/mol, XLogP of 2.46, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(8-methoxy-2-oxochromene-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 66485426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).