N-(anthracen-9-ylmethylideneamino)-1-hydroxynaphthalene-2-carboxamide

C26H18N2O2 — CID 3995979

IUPACN-(anthracen-9-ylmethylideneamino)-1-hydroxynaphthalene-2-carboxamide
SMILESO=C(NN=Cc1c2ccccc2cc2ccccc12)c1ccc2ccccc2c1O
InChIInChI=1S/C26H18N2O2/c29-25-22-12-6-1-7-17(22)13-14-23(25)26(30)28-27-16-24-20-10-4-2-8-18(20)15-19-9-3-5-11-21(19)24/h1-16,29H,(H,28,30)
InChIKeyGPSILKLBSMAARW-UHFFFAOYSA-N
MW390.44 g/mol
LogP5.62
Rot. Bonds3

About N-(anthracen-9-ylmethylideneamino)-1-hydroxynaphthalene-2-carboxamide

N-(anthracen-9-ylmethylideneamino)-1-hydroxynaphthalene-2-carboxamide (PubChem CID 3995979) has the molecular formula C26H18N2O2 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-(anthracen-9-ylmethylideneamino)-1-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(anthracen-9-ylmethylideneamino)-1-hydroxynaphthalene-2-carboxamide
PubChem CID3995979
Molecular FormulaC26H18N2O2
Molecular Weight390.44 g/mol
Exact Mass390.14
IUPAC NameN-(anthracen-9-ylmethylideneamino)-1-hydroxynaphthalene-2-carboxamide
SMILESO=C(NN=Cc1c2ccccc2cc2ccccc12)c1ccc2ccccc2c1O
InChIInChI=1S/C26H18N2O2/c29-25-22-12-6-1-7-17(22)13-14-23(25)26(30)28-27-16-24-20-10-4-2-8-18(20)15-19-9-3-5-11-21(19)24/h1-16,29H,(H,28,30)
InChIKeyGPSILKLBSMAARW-UHFFFAOYSA-N
XLogP5.62
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.44
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-(benzylideneamino)-1-hydroxynaphthalene-2-carboxamide
CID 4115727
[1-[(E)-[(1-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]naphthalen-2-yl] naphthalene-1-carboxylate
CID 46500871
N-(anthracen-9-ylmethylideneamino)-5-bromo-2-hydroxybenzamide
CID 71960210
2,4-dihydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135688483
N-(anthracen-9-ylmethylideneamino)-4-hydroxybenzamide
CID 702160
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide
CID 6019936
N-[(Z)-(4-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide
CID 6260271
N-[(Z)-(3-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide
CID 6019016
N-[(Z)-anthracen-9-ylmethylideneamino]-3-hydroxybenzamide
CID 6016653
4-bromo-2-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 136759632
N-[(E)-anthracen-9-ylmethylideneamino]-2-pyrrol-1-ylbenzamide
CID 19659641
2-amino-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135770382

Frequently Asked Questions

What is the IUPAC name of N-(anthracen-9-ylmethylideneamino)-1-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-(anthracen-9-ylmethylideneamino)-1-hydroxynaphthalene-2-carboxamide (CID 3995979) is N-(anthracen-9-ylmethylideneamino)-1-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-(anthracen-9-ylmethylideneamino)-1-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-(anthracen-9-ylmethylideneamino)-1-hydroxynaphthalene-2-carboxamide is O=C(NN=Cc1c2ccccc2cc2ccccc12)c1ccc2ccccc2c1O.
What is the InChIKey of N-(anthracen-9-ylmethylideneamino)-1-hydroxynaphthalene-2-carboxamide?
The InChIKey is GPSILKLBSMAARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2O2/c29-25-22-12-6-1-7-17(22)13-14-23(25)26(30)28-27-16-24-20-10-4-2-8-18(20)15-19-9-3-5-11-21(19)24/h1-16,29H,(H,28,30).
What are the key properties of N-(anthracen-9-ylmethylideneamino)-1-hydroxynaphthalene-2-carboxamide?
N-(anthracen-9-ylmethylideneamino)-1-hydroxynaphthalene-2-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 5.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(anthracen-9-ylmethylideneamino)-1-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 3995979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).