N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-oxochromene-3-carboxamide

C17H12N2O5 — CID 137242181

IUPACN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-oxochromene-3-carboxamide
SMILESO=C(N/N=C/c1ccc(O)cc1O)c1cc2ccccc2oc1=O
InChIInChI=1S/C17H12N2O5/c20-12-6-5-11(14(21)8-12)9-18-19-16(22)13-7-10-3-1-2-4-15(10)24-17(13)23/h1-9,20-21H,(H,19,22)/b18-9+
InChIKeyXMQJAXXLWJSFGW-GIJQJNRQSA-N
MW324.29 g/mol
LogP1.97
Rot. Bonds3

About N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-oxochromene-3-carboxamide

N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-oxochromene-3-carboxamide (PubChem CID 137242181) has the molecular formula C17H12N2O5 and a molecular weight of 324.29 g/mol. Its IUPAC name is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-oxochromene-3-carboxamide
PubChem CID137242181
Molecular FormulaC17H12N2O5
Molecular Weight324.29 g/mol
Exact Mass324.07
IUPAC NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-oxochromene-3-carboxamide
SMILESO=C(N/N=C/c1ccc(O)cc1O)c1cc2ccccc2oc1=O
InChIInChI=1S/C17H12N2O5/c20-12-6-5-11(14(21)8-12)9-18-19-16(22)13-7-10-3-1-2-4-15(10)24-17(13)23/h1-9,20-21H,(H,19,22)/b18-9+
InChIKeyXMQJAXXLWJSFGW-GIJQJNRQSA-N
XLogP1.97
TPSA112.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-oxochromene-3-carboxamide
CID 53375224
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-oxochromene-3-carboxamide
CID 6870795
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 136720676
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxochromene-3-carboxamide
CID 135457356
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 135529636
N-[(E)-1-benzofuran-2-ylmethylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 45109193
N-(benzhydrylideneamino)-2-oxochromene-3-carboxamide
CID 18284060
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 137133430
5-bromo-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 136765272
5-bromo-2-chloro-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide
CID 135455727
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
CID 135576680
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-ethylquinoline-4-carboxamide
CID 135457689

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-oxochromene-3-carboxamide (CID 137242181) is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-oxochromene-3-carboxamide is O=C(N/N=C/c1ccc(O)cc1O)c1cc2ccccc2oc1=O.
What is the InChIKey of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-oxochromene-3-carboxamide?
The InChIKey is XMQJAXXLWJSFGW-GIJQJNRQSA-N. The full InChI is InChI=1S/C17H12N2O5/c20-12-6-5-11(14(21)8-12)9-18-19-16(22)13-7-10-3-1-2-4-15(10)24-17(13)23/h1-9,20-21H,(H,19,22)/b18-9+.
What are the key properties of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-oxochromene-3-carboxamide?
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-oxochromene-3-carboxamide has a molecular weight of 324.29 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 137242181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).