N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide

C19H17N3O5 — CID 135549434

IUPACN-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
SMILESCCOc1cc(/C=N/NC(=O)c2c(O)c3ccccc3[nH]c2=O)ccc1O
InChIInChI=1S/C19H17N3O5/c1-2-27-15-9-11(7-8-14(15)23)10-20-22-19(26)16-17(24)12-5-3-4-6-13(12)21-18(16)25/h3-10,23H,2H2,1H3,(H,22,26)(H2,21,24,25)/b20-10+
InChIKeyFMOVFZWZRFSGMP-KEBDBYFISA-N
MW367.36 g/mol
LogP2.10
Rot. Bonds5

About N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide

N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 135549434) has the molecular formula C19H17N3O5 and a molecular weight of 367.36 g/mol. Its IUPAC name is N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
PubChem CID135549434
Molecular FormulaC19H17N3O5
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC NameN-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
SMILESCCOc1cc(/C=N/NC(=O)c2c(O)c3ccccc3[nH]c2=O)ccc1O
InChIInChI=1S/C19H17N3O5/c1-2-27-15-9-11(7-8-14(15)23)10-20-22-19(26)16-17(24)12-5-3-4-6-13(12)21-18(16)25/h3-10,23H,2H2,1H3,(H,22,26)(H2,21,24,25)/b20-10+
InChIKeyFMOVFZWZRFSGMP-KEBDBYFISA-N
XLogP2.10
TPSA124.01 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 52.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 135641524
3,4-diethoxy-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 137068274
N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxamide
CID 136874336
N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-fluorobenzamide
CID 773930
3-chloro-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-1-benzothiophene-2-carboxamide
CID 135688769
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-3-ethyl-4-oxophthalazine-1-carboxamide
CID 135749646
N,N'-bis[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]decanediamide
CID 135458926
N,N'-bis[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]butanediamide
CID 135884833
1-benzyl-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 136874487
N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-3-(2-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 136700627
4-tert-butyl-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 923419
4-bromo-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 1249575

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide (CID 135549434) is N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide is CCOc1cc(/C=N/NC(=O)c2c(O)c3ccccc3[nH]c2=O)ccc1O.
What is the InChIKey of N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is FMOVFZWZRFSGMP-KEBDBYFISA-N. The full InChI is InChI=1S/C19H17N3O5/c1-2-27-15-9-11(7-8-14(15)23)10-20-22-19(26)16-17(24)12-5-3-4-6-13(12)21-18(16)25/h3-10,23H,2H2,1H3,(H,22,26)(H2,21,24,25)/b20-10+.
What are the key properties of N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 367.36 g/mol, XLogP of 2.10, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 135549434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).