N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide

C22H17N3O4 — CID 2859966

IUPACN-[(2,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1ccc(O)cc1O
InChIInChI=1S/C22H17N3O4/c26-15-10-9-14(20(27)11-15)12-23-24-21(28)13-25-18-7-3-1-5-16(18)22(29)17-6-2-4-8-19(17)25/h1-12,26-27H,13H2,(H,24,28)
InChIKeyUASLGCJTHCWBDV-UHFFFAOYSA-N
MW387.40 g/mol
LogP2.72
Rot. Bonds4

About N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide

N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 2859966) has the molecular formula C22H17N3O4 and a molecular weight of 387.40 g/mol. Its IUPAC name is N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-[(2,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
PubChem CID2859966
Molecular FormulaC22H17N3O4
Molecular Weight387.40 g/mol
Exact Mass387.12
IUPAC NameN-[(2,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1ccc(O)cc1O
InChIInChI=1S/C22H17N3O4/c26-15-10-9-14(20(27)11-15)12-23-24-21(28)13-25-18-7-3-1-5-16(18)22(29)17-6-2-4-8-19(17)25/h1-12,26-27H,13H2,(H,24,28)
InChIKeyUASLGCJTHCWBDV-UHFFFAOYSA-N
XLogP2.72
TPSA103.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide (CID 2859966) is N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1ccc(O)cc1O.
What is the InChIKey of N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is UASLGCJTHCWBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O4/c26-15-10-9-14(20(27)11-15)12-23-24-21(28)13-25-18-7-3-1-5-16(18)22(29)17-6-2-4-8-19(17)25/h1-12,26-27H,13H2,(H,24,28).
What are the key properties of N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 387.40 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 2859966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).