N-[(E)-(2,3-dihydroxy-4-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide

C19H16N2O5 — CID 176513819

IUPACN-[(E)-(2,3-dihydroxy-4-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)c(O)c1O
InChIInChI=1S/C19H16N2O5/c1-26-16-7-6-13(17(23)18(16)24)10-20-21-19(25)14-8-11-4-2-3-5-12(11)9-15(14)22/h2-10,22-24H,1H3,(H,21,25)/b20-10+
InChIKeyFVJQCLJIODXCOY-KEBDBYFISA-N
MW352.35 g/mol
LogP2.73
Rot. Bonds4

About N-[(E)-(2,3-dihydroxy-4-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide

N-[(E)-(2,3-dihydroxy-4-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide (PubChem CID 176513819) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is N-[(E)-(2,3-dihydroxy-4-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2,3-dihydroxy-4-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
PubChem CID176513819
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC NameN-[(E)-(2,3-dihydroxy-4-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)c(O)c1O
InChIInChI=1S/C19H16N2O5/c1-26-16-7-6-13(17(23)18(16)24)10-20-21-19(25)14-8-11-4-2-3-5-12(11)9-15(14)22/h2-10,22-24H,1H3,(H,21,25)/b20-10+
InChIKeyFVJQCLJIODXCOY-KEBDBYFISA-N
XLogP2.73
TPSA111.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'hzone_acyl_naphthol(22)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[(E)-(2,3-dihydroxy-4-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3976610
N-[(Z)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 5437236
methyl 2-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]benzoate
CID 9212359
3-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6869154
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 136720676
[4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] acetate
CID 1009993
3-methoxy-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]naphthalene-2-carboxamide
CID 6044173
3-hydroxy-N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6906540
N-[(2,4-dimethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3422870
N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 137166744
2-[2-[(E)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetate
CID 6870474
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3725484

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,3-dihydroxy-4-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-[(E)-(2,3-dihydroxy-4-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide (CID 176513819) is N-[(E)-(2,3-dihydroxy-4-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[(E)-(2,3-dihydroxy-4-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-[(E)-(2,3-dihydroxy-4-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide is COc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)c(O)c1O.
What is the InChIKey of N-[(E)-(2,3-dihydroxy-4-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is FVJQCLJIODXCOY-KEBDBYFISA-N. The full InChI is InChI=1S/C19H16N2O5/c1-26-16-7-6-13(17(23)18(16)24)10-20-21-19(25)14-8-11-4-2-3-5-12(11)9-15(14)22/h2-10,22-24H,1H3,(H,21,25)/b20-10+.
What are the key properties of N-[(E)-(2,3-dihydroxy-4-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
N-[(E)-(2,3-dihydroxy-4-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 352.35 g/mol, XLogP of 2.73, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,3-dihydroxy-4-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 176513819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).