3-hydroxy-N-[(4-morpholin-4-ylphenyl)methylideneamino]naphthalene-2-carboxamide

C22H21N3O3 — CID 2343764

IUPAC3-hydroxy-N-[(4-morpholin-4-ylphenyl)methylideneamino]naphthalene-2-carboxamide
SMILESO=C(NN=Cc1ccc(N2CCOCC2)cc1)c1cc2ccccc2cc1O
InChIInChI=1S/C22H21N3O3/c26-21-14-18-4-2-1-3-17(18)13-20(21)22(27)24-23-15-16-5-7-19(8-6-16)25-9-11-28-12-10-25/h1-8,13-15,26H,9-12H2,(H,24,27)
InChIKeyBCAKPSMACJGYOT-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.15
Rot. Bonds4

About 3-hydroxy-N-[(4-morpholin-4-ylphenyl)methylideneamino]naphthalene-2-carboxamide

3-hydroxy-N-[(4-morpholin-4-ylphenyl)methylideneamino]naphthalene-2-carboxamide (PubChem CID 2343764) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 3-hydroxy-N-[(4-morpholin-4-ylphenyl)methylideneamino]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[(4-morpholin-4-ylphenyl)methylideneamino]naphthalene-2-carboxamide
PubChem CID2343764
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name3-hydroxy-N-[(4-morpholin-4-ylphenyl)methylideneamino]naphthalene-2-carboxamide
SMILESO=C(NN=Cc1ccc(N2CCOCC2)cc1)c1cc2ccccc2cc1O
InChIInChI=1S/C22H21N3O3/c26-21-14-18-4-2-1-3-17(18)13-20(21)22(27)24-23-15-16-5-7-19(8-6-16)25-9-11-28-12-10-25/h1-8,13-15,26H,9-12H2,(H,24,27)
InChIKeyBCAKPSMACJGYOT-UHFFFAOYSA-N
XLogP3.15
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil_di_alk(35)', 'substructure': 'N/A'}, {'alert_name': 'hzone_acyl_naphthol(22)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(4-morpholin-4-ylphenyl)methylideneamino]naphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[(4-morpholin-4-ylphenyl)methylideneamino]naphthalene-2-carboxamide (CID 2343764) is 3-hydroxy-N-[(4-morpholin-4-ylphenyl)methylideneamino]naphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[(4-morpholin-4-ylphenyl)methylideneamino]naphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[(4-morpholin-4-ylphenyl)methylideneamino]naphthalene-2-carboxamide is O=C(NN=Cc1ccc(N2CCOCC2)cc1)c1cc2ccccc2cc1O.
What is the InChIKey of 3-hydroxy-N-[(4-morpholin-4-ylphenyl)methylideneamino]naphthalene-2-carboxamide?
The InChIKey is BCAKPSMACJGYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c26-21-14-18-4-2-1-3-17(18)13-20(21)22(27)24-23-15-16-5-7-19(8-6-16)25-9-11-28-12-10-25/h1-8,13-15,26H,9-12H2,(H,24,27).
What are the key properties of 3-hydroxy-N-[(4-morpholin-4-ylphenyl)methylideneamino]naphthalene-2-carboxamide?
3-hydroxy-N-[(4-morpholin-4-ylphenyl)methylideneamino]naphthalene-2-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(4-morpholin-4-ylphenyl)methylideneamino]naphthalene-2-carboxamide is sourced from PubChem (CID 2343764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).