N-[(2,3-dihydroxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide

C24H19N3O4 — CID 2368203

IUPACN-[(2,3-dihydroxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide
SMILESO=C(NN=Cc1cccc(O)c1O)c1ccc(COc2cccc3cccnc23)cc1
InChIInChI=1S/C24H19N3O4/c28-20-7-1-5-19(23(20)29)14-26-27-24(30)18-11-9-16(10-12-18)15-31-21-8-2-4-17-6-3-13-25-22(17)21/h1-14,28-29H,15H2,(H,27,30)
InChIKeyKDROEBLAACJVIP-UHFFFAOYSA-N
MW413.43 g/mol
LogP3.99
Rot. Bonds6

About N-[(2,3-dihydroxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide

N-[(2,3-dihydroxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide (PubChem CID 2368203) has the molecular formula C24H19N3O4 and a molecular weight of 413.43 g/mol. Its IUPAC name is N-[(2,3-dihydroxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide.

Molecular Properties

Compound NameN-[(2,3-dihydroxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide
PubChem CID2368203
Molecular FormulaC24H19N3O4
Molecular Weight413.43 g/mol
Exact Mass413.14
IUPAC NameN-[(2,3-dihydroxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide
SMILESO=C(NN=Cc1cccc(O)c1O)c1ccc(COc2cccc3cccnc23)cc1
InChIInChI=1S/C24H19N3O4/c28-20-7-1-5-19(23(20)29)14-26-27-24(30)18-11-9-16(10-12-18)15-31-21-8-2-4-17-6-3-13-25-22(17)21/h1-14,28-29H,15H2,(H,27,30)
InChIKeyKDROEBLAACJVIP-UHFFFAOYSA-N
XLogP3.99
TPSA104.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 53.99
H-Bond Donors ≤ 53
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': 'catechol', '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-dihydroxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 135607593
N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide
CID 6072663
N-[(4-octoxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide
CID 3994710
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 135627845
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 136817914
4-[[2-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]methyl]benzoic acid
CID 6875276
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxybenzamide
CID 135852734
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3,5-dihydroxybenzamide
CID 135421615
3-hydroxy-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6911496
methyl 4-[[2-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenoxy]methyl]benzoate
CID 6906959
4-[[2-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenoxy]methyl]benzoic acid
CID 7343454
N-[(E)-[2-[3-(diethylsulfamoyl)phenyl]-3-hydroxy-1-oxoisoquinolin-4-yl]methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide
CID 135781191

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dihydroxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide?
The IUPAC name of N-[(2,3-dihydroxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide (CID 2368203) is N-[(2,3-dihydroxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide.
What is the SMILES notation for N-[(2,3-dihydroxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide?
The canonical SMILES for N-[(2,3-dihydroxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide is O=C(NN=Cc1cccc(O)c1O)c1ccc(COc2cccc3cccnc23)cc1.
What is the InChIKey of N-[(2,3-dihydroxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide?
The InChIKey is KDROEBLAACJVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O4/c28-20-7-1-5-19(23(20)29)14-26-27-24(30)18-11-9-16(10-12-18)15-31-21-8-2-4-17-6-3-13-25-22(17)21/h1-14,28-29H,15H2,(H,27,30).
What are the key properties of N-[(2,3-dihydroxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide?
N-[(2,3-dihydroxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide has a molecular weight of 413.43 g/mol, XLogP of 3.99, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dihydroxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide is sourced from PubChem (CID 2368203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).