N-[(3-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide

C22H17N3O3 — CID 91970149

IUPACN-[(3-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1cccc(O)c1
InChIInChI=1S/C22H17N3O3/c26-16-7-5-6-15(12-16)13-23-24-21(27)14-25-19-10-3-1-8-17(19)22(28)18-9-2-4-11-20(18)25/h1-13,26H,14H2,(H,24,27)
InChIKeyDQPVCXXEYRVXCG-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.01
Rot. Bonds4

About N-[(3-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide

N-[(3-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 91970149) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
PubChem CID91970149
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC NameN-[(3-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1cccc(O)c1
InChIInChI=1S/C22H17N3O3/c26-16-7-5-6-15(12-16)13-23-24-21(27)14-25-19-10-3-1-8-17(19)22(28)18-9-2-4-11-20(18)25/h1-13,26H,14H2,(H,24,27)
InChIKeyDQPVCXXEYRVXCG-UHFFFAOYSA-N
XLogP3.01
TPSA83.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-[(3-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide (CID 91970149) is N-[(3-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-[(3-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1cccc(O)c1.
What is the InChIKey of N-[(3-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is DQPVCXXEYRVXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c26-16-7-5-6-15(12-16)13-23-24-21(27)14-25-19-10-3-1-8-17(19)22(28)18-9-2-4-11-20(18)25/h1-13,26H,14H2,(H,24,27).
What are the key properties of N-[(3-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
N-[(3-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 371.40 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 91970149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).