N-[(E)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide

C28H24N4O2 — CID 5341858

IUPACN-[(E)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
SMILESCc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)n1-c1ccccc1
InChIInChI=1S/C28H24N4O2/c1-19-16-21(20(2)32(19)22-10-4-3-5-11-22)17-29-30-27(33)18-31-25-14-8-6-12-23(25)28(34)24-13-7-9-15-26(24)31/h3-17H,18H2,1-2H3,(H,30,33)/b29-17+
InChIKeyOIYLPMKRHQKGFW-STBIYBPSSA-N
MW448.53 g/mol
LogP4.71
Rot. Bonds5

About N-[(E)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide

N-[(E)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 5341858) has the molecular formula C28H24N4O2 and a molecular weight of 448.53 g/mol. Its IUPAC name is N-[(E)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
PubChem CID5341858
Molecular FormulaC28H24N4O2
Molecular Weight448.53 g/mol
Exact Mass448.19
IUPAC NameN-[(E)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
SMILESCc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)n1-c1ccccc1
InChIInChI=1S/C28H24N4O2/c1-19-16-21(20(2)32(19)22-10-4-3-5-11-22)17-29-30-27(33)18-31-25-14-8-6-12-23(25)28(34)24-13-7-9-15-26(24)31/h3-17H,18H2,1-2H3,(H,30,33)/b29-17+
InChIKeyOIYLPMKRHQKGFW-STBIYBPSSA-N
XLogP4.71
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', '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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Related Compounds

N-[(E)-[2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 21212478
N-[(Z)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-2-piperidin-1-ylacetamide
CID 92850907
N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 137171999
methyl N-[(Z)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]carbamate
CID 6289784
N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 6381487
(4S)-N-[(Z)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-4-hydroxy-4-phenylbutanamide
CID 94833779
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 135457607
N-[(Z)-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-phenylacetamide
CID 126005475
2-anilino-N-[(Z)-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]acetamide
CID 7933354
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-[(E)-[1-(4-tert-butylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-phenylacetamide
CID 126007032

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-[(E)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide (CID 5341858) is N-[(E)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-[(E)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-[(E)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is Cc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)n1-c1ccccc1.
What is the InChIKey of N-[(E)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is OIYLPMKRHQKGFW-STBIYBPSSA-N. The full InChI is InChI=1S/C28H24N4O2/c1-19-16-21(20(2)32(19)22-10-4-3-5-11-22)17-29-30-27(33)18-31-25-14-8-6-12-23(25)28(34)24-13-7-9-15-26(24)31/h3-17H,18H2,1-2H3,(H,30,33)/b29-17+.
What are the key properties of N-[(E)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
N-[(E)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 448.53 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 5341858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).