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

C22H17N3O3 — CID 98005160

IUPACN-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C\c1cccc(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)/b23-13-
InChIKeyDQPVCXXEYRVXCG-QRVIBDJDSA-N
MW371.40 g/mol
LogP3.01
Rot. Bonds4

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

N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 98005160) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
PubChem CID98005160
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC NameN-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C\c1cccc(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)/b23-13-
InChIKeyDQPVCXXEYRVXCG-QRVIBDJDSA-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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Related Compounds

N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 75123865
N-[(Z)-(3-bromophenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 98005141
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 135900957
N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 26368129
N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 6381487
2-(9-oxoacridin-10-yl)-N-[(4-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 91970082
N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 137171999
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 135457607
N-[(Z)-(4-hydroxy-3-iodo-5-nitrophenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 136829057
N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 21212503
N-[[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 2883540
N-[(E)-(3-hydroxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide
CID 6888778

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide (CID 98005160) is N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C\c1cccc(O)c1.
What is the InChIKey of N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is DQPVCXXEYRVXCG-QRVIBDJDSA-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)/b23-13-.
What are the key properties of N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
N-[(Z)-(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-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 98005160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).