2-(9-oxoacridin-10-yl)-N-[(4-prop-2-enoxyphenyl)methylideneamino]acetamide

C25H21N3O3 — CID 91970082

IUPAC2-(9-oxoacridin-10-yl)-N-[(4-prop-2-enoxyphenyl)methylideneamino]acetamide
SMILESC=CCOc1ccc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1
InChIInChI=1S/C25H21N3O3/c1-2-15-31-19-13-11-18(12-14-19)16-26-27-24(29)17-28-22-9-5-3-7-20(22)25(30)21-8-4-6-10-23(21)28/h2-14,16H,1,15,17H2,(H,27,29)
InChIKeyXKFZZAIPLAAPQX-UHFFFAOYSA-N
MW411.46 g/mol
LogP3.87
Rot. Bonds7

About 2-(9-oxoacridin-10-yl)-N-[(4-prop-2-enoxyphenyl)methylideneamino]acetamide

2-(9-oxoacridin-10-yl)-N-[(4-prop-2-enoxyphenyl)methylideneamino]acetamide (PubChem CID 91970082) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is 2-(9-oxoacridin-10-yl)-N-[(4-prop-2-enoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(9-oxoacridin-10-yl)-N-[(4-prop-2-enoxyphenyl)methylideneamino]acetamide
PubChem CID91970082
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC Name2-(9-oxoacridin-10-yl)-N-[(4-prop-2-enoxyphenyl)methylideneamino]acetamide
SMILESC=CCOc1ccc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1
InChIInChI=1S/C25H21N3O3/c1-2-15-31-19-13-11-18(12-14-19)16-26-27-24(29)17-28-22-9-5-3-7-20(22)25(30)21-8-4-6-10-23(21)28/h2-14,16H,1,15,17H2,(H,27,29)
InChIKeyXKFZZAIPLAAPQX-UHFFFAOYSA-N
XLogP3.87
TPSA72.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 126013367
N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 6381487
N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 75123865
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 98005160
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 135900957
2-hydroxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 5333365
N-[(Z)-(3-bromophenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 98005141
N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 26368129
N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 21212503
4-prop-2-enoxy-N-[[4-[[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 4926312
N-(benzylideneamino)-4-prop-2-enoxybenzamide
CID 4925725
N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 137171999

Frequently Asked Questions

What is the IUPAC name of 2-(9-oxoacridin-10-yl)-N-[(4-prop-2-enoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(9-oxoacridin-10-yl)-N-[(4-prop-2-enoxyphenyl)methylideneamino]acetamide (CID 91970082) is 2-(9-oxoacridin-10-yl)-N-[(4-prop-2-enoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(9-oxoacridin-10-yl)-N-[(4-prop-2-enoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(9-oxoacridin-10-yl)-N-[(4-prop-2-enoxyphenyl)methylideneamino]acetamide is C=CCOc1ccc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1.
What is the InChIKey of 2-(9-oxoacridin-10-yl)-N-[(4-prop-2-enoxyphenyl)methylideneamino]acetamide?
The InChIKey is XKFZZAIPLAAPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c1-2-15-31-19-13-11-18(12-14-19)16-26-27-24(29)17-28-22-9-5-3-7-20(22)25(30)21-8-4-6-10-23(21)28/h2-14,16H,1,15,17H2,(H,27,29).
What are the key properties of 2-(9-oxoacridin-10-yl)-N-[(4-prop-2-enoxyphenyl)methylideneamino]acetamide?
2-(9-oxoacridin-10-yl)-N-[(4-prop-2-enoxyphenyl)methylideneamino]acetamide has a molecular weight of 411.46 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-oxoacridin-10-yl)-N-[(4-prop-2-enoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 91970082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).