N-(9-amino-7-ethoxyacridin-3-yl)-4-cyanobenzamide

C23H18N4O2 — CID 132503348

IUPACN-(9-amino-7-ethoxyacridin-3-yl)-4-cyanobenzamide
SMILESCCOc1ccc2nc3cc(NC(=O)c4ccc(C#N)cc4)ccc3c(N)c2c1
InChIInChI=1S/C23H18N4O2/c1-2-29-17-8-10-20-19(12-17)22(25)18-9-7-16(11-21(18)27-20)26-23(28)15-5-3-14(13-24)4-6-15/h3-12H,2H2,1H3,(H2,25,27)(H,26,28)
InChIKeyCXSXABUPOJWVIA-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.49
Rot. Bonds4

About N-(9-amino-7-ethoxyacridin-3-yl)-4-cyanobenzamide

N-(9-amino-7-ethoxyacridin-3-yl)-4-cyanobenzamide (PubChem CID 132503348) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-(9-amino-7-ethoxyacridin-3-yl)-4-cyanobenzamide.

Molecular Properties

Compound NameN-(9-amino-7-ethoxyacridin-3-yl)-4-cyanobenzamide
PubChem CID132503348
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC NameN-(9-amino-7-ethoxyacridin-3-yl)-4-cyanobenzamide
SMILESCCOc1ccc2nc3cc(NC(=O)c4ccc(C#N)cc4)ccc3c(N)c2c1
InChIInChI=1S/C23H18N4O2/c1-2-29-17-8-10-20-19(12-17)22(25)18-9-7-16(11-21(18)27-20)26-23(28)15-5-3-14(13-24)4-6-15/h3-12H,2H2,1H3,(H2,25,27)(H,26,28)
InChIKeyCXSXABUPOJWVIA-UHFFFAOYSA-N
XLogP4.49
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-(9-amino-7-ethoxyacridin-3-yl)-4-cyanobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-(4-cyanophenyl)-3-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide
CID 109057669
N-(3-cyanophenyl)-4-ethoxybenzamide
CID 2707612
N-(4-cyanophenyl)-3,4,5-triethoxybenzamide
CID 1129663
4-[[2-(4-cyanoanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 26437531
N-(3-amino-4-chlorophenyl)-4-ethoxybenzamide
CID 18071163
1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050095
N-(4-cyanophenyl)-2-(4-ethoxyanilino)pyridine-4-carboxamide
CID 109178212
N-(2-amino-4-ethoxyphenyl)-4-ethoxybenzamide
CID 91687646
N-(4-amino-3-bromophenyl)-4-cyanobenzamide
CID 82861639
3-[(4-ethoxybenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 1228510
N-(3-amino-4-ethoxyphenyl)-4-methoxybenzamide
CID 23464410
N-(4-cyanophenyl)-4-decoxybenzamide
CID 101059552

Frequently Asked Questions

What is the IUPAC name of N-(9-amino-7-ethoxyacridin-3-yl)-4-cyanobenzamide?
The IUPAC name of N-(9-amino-7-ethoxyacridin-3-yl)-4-cyanobenzamide (CID 132503348) is N-(9-amino-7-ethoxyacridin-3-yl)-4-cyanobenzamide.
What is the SMILES notation for N-(9-amino-7-ethoxyacridin-3-yl)-4-cyanobenzamide?
The canonical SMILES for N-(9-amino-7-ethoxyacridin-3-yl)-4-cyanobenzamide is CCOc1ccc2nc3cc(NC(=O)c4ccc(C#N)cc4)ccc3c(N)c2c1.
What is the InChIKey of N-(9-amino-7-ethoxyacridin-3-yl)-4-cyanobenzamide?
The InChIKey is CXSXABUPOJWVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2/c1-2-29-17-8-10-20-19(12-17)22(25)18-9-7-16(11-21(18)27-20)26-23(28)15-5-3-14(13-24)4-6-15/h3-12H,2H2,1H3,(H2,25,27)(H,26,28).
What are the key properties of N-(9-amino-7-ethoxyacridin-3-yl)-4-cyanobenzamide?
N-(9-amino-7-ethoxyacridin-3-yl)-4-cyanobenzamide has a molecular weight of 382.42 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-amino-7-ethoxyacridin-3-yl)-4-cyanobenzamide is sourced from PubChem (CID 132503348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).