8-ethoxy-4-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-1-oxo-6-phenyl-2H-2,7-naphthyridine-3-carboxamide

C24H20N4O5 — CID 135958507

IUPAC8-ethoxy-4-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-1-oxo-6-phenyl-2H-2,7-naphthyridine-3-carboxamide
SMILESCCOc1nc(-c2ccccc2)cc2c(O)c(C(=O)N/N=C/c3ccccc3O)[nH]c(=O)c12
InChIInChI=1S/C24H20N4O5/c1-2-33-24-19-16(12-17(26-24)14-8-4-3-5-9-14)21(30)20(27-22(19)31)23(32)28-25-13-15-10-6-7-11-18(15)29/h3-13,29-30H,2H2,1H3,(H,27,31)(H,28,32)/b25-13+
InChIKeyCVHWRKIIHWGMTK-DHRITJCHSA-N
MW444.45 g/mol
LogP3.16
Rot. Bonds6

About 8-ethoxy-4-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-1-oxo-6-phenyl-2H-2,7-naphthyridine-3-carboxamide

8-ethoxy-4-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-1-oxo-6-phenyl-2H-2,7-naphthyridine-3-carboxamide (PubChem CID 135958507) has the molecular formula C24H20N4O5 and a molecular weight of 444.45 g/mol. Its IUPAC name is 8-ethoxy-4-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-1-oxo-6-phenyl-2H-2,7-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name8-ethoxy-4-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-1-oxo-6-phenyl-2H-2,7-naphthyridine-3-carboxamide
PubChem CID135958507
Molecular FormulaC24H20N4O5
Molecular Weight444.45 g/mol
Exact Mass444.14
IUPAC Name8-ethoxy-4-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-1-oxo-6-phenyl-2H-2,7-naphthyridine-3-carboxamide
SMILESCCOc1nc(-c2ccccc2)cc2c(O)c(C(=O)N/N=C/c3ccccc3O)[nH]c(=O)c12
InChIInChI=1S/C24H20N4O5/c1-2-33-24-19-16(12-17(26-24)14-8-4-3-5-9-14)21(30)20(27-22(19)31)23(32)28-25-13-15-10-6-7-11-18(15)29/h3-13,29-30H,2H2,1H3,(H,27,31)(H,28,32)/b25-13+
InChIKeyCVHWRKIIHWGMTK-DHRITJCHSA-N
XLogP3.16
TPSA136.90 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.45
LogP ≤ 53.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

8-ethoxy-4-hydroxy-1-oxo-6-phenyl-2H-2,7-naphthyridine-3-carboxylic acid
CID 54732443
2-(4-ethylphenyl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 135781987
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 135722845
N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]-2-oxo-4-phenyl-1H-pyrimidine-6-carboxamide
CID 110525482
N-[(2-hydroxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 3350380
N-[(2-ethoxyphenyl)methylideneamino]-3,4,5-trihydroxybenzamide
CID 4570338
N-[(E)-(2-hydroxyphenyl)methylideneamino]-6-phenyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 136781430
3-(4-bromophenyl)-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 135648502
N-[[3-[(E)-(benzoylhydrazinylidene)methyl]-5-ethoxy-2-hydroxyphenyl]methylideneamino]benzamide
CID 135688471
2-[(2Z)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136920913
N-[(2-ethoxyphenyl)methylideneamino]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 1128539
N-[(E)-(2-ethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6890693

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-4-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-1-oxo-6-phenyl-2H-2,7-naphthyridine-3-carboxamide?
The IUPAC name of 8-ethoxy-4-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-1-oxo-6-phenyl-2H-2,7-naphthyridine-3-carboxamide (CID 135958507) is 8-ethoxy-4-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-1-oxo-6-phenyl-2H-2,7-naphthyridine-3-carboxamide.
What is the SMILES notation for 8-ethoxy-4-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-1-oxo-6-phenyl-2H-2,7-naphthyridine-3-carboxamide?
The canonical SMILES for 8-ethoxy-4-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-1-oxo-6-phenyl-2H-2,7-naphthyridine-3-carboxamide is CCOc1nc(-c2ccccc2)cc2c(O)c(C(=O)N/N=C/c3ccccc3O)[nH]c(=O)c12.
What is the InChIKey of 8-ethoxy-4-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-1-oxo-6-phenyl-2H-2,7-naphthyridine-3-carboxamide?
The InChIKey is CVHWRKIIHWGMTK-DHRITJCHSA-N. The full InChI is InChI=1S/C24H20N4O5/c1-2-33-24-19-16(12-17(26-24)14-8-4-3-5-9-14)21(30)20(27-22(19)31)23(32)28-25-13-15-10-6-7-11-18(15)29/h3-13,29-30H,2H2,1H3,(H,27,31)(H,28,32)/b25-13+.
What are the key properties of 8-ethoxy-4-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-1-oxo-6-phenyl-2H-2,7-naphthyridine-3-carboxamide?
8-ethoxy-4-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-1-oxo-6-phenyl-2H-2,7-naphthyridine-3-carboxamide has a molecular weight of 444.45 g/mol, XLogP of 3.16, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-4-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-1-oxo-6-phenyl-2H-2,7-naphthyridine-3-carboxamide is sourced from PubChem (CID 135958507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).