ethyl 4-(acridin-9-ylamino)butanoate

C19H20N2O2 — CID 162648656

IUPACethyl 4-(acridin-9-ylamino)butanoate
SMILESCCOC(=O)CCCNc1c2ccccc2nc2ccccc12
InChIInChI=1S/C19H20N2O2/c1-2-23-18(22)12-7-13-20-19-14-8-3-5-10-16(14)21-17-11-6-4-9-15(17)19/h3-6,8-11H,2,7,12-13H2,1H3,(H,20,21)
InChIKeyIPGUTCAYRSZWSF-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.14
Rot. Bonds6

About ethyl 4-(acridin-9-ylamino)butanoate

ethyl 4-(acridin-9-ylamino)butanoate (PubChem CID 162648656) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is ethyl 4-(acridin-9-ylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(acridin-9-ylamino)butanoate
PubChem CID162648656
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Nameethyl 4-(acridin-9-ylamino)butanoate
SMILESCCOC(=O)CCCNc1c2ccccc2nc2ccccc12
InChIInChI=1S/C19H20N2O2/c1-2-23-18(22)12-7-13-20-19-14-8-3-5-10-16(14)21-17-11-6-4-9-15(17)19/h3-6,8-11H,2,7,12-13H2,1H3,(H,20,21)
InChIKeyIPGUTCAYRSZWSF-UHFFFAOYSA-N
XLogP4.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 4-(acridin-9-ylamino)butanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(acridin-9-ylamino)butanoate?
The IUPAC name of ethyl 4-(acridin-9-ylamino)butanoate (CID 162648656) is ethyl 4-(acridin-9-ylamino)butanoate.
What is the SMILES notation for ethyl 4-(acridin-9-ylamino)butanoate?
The canonical SMILES for ethyl 4-(acridin-9-ylamino)butanoate is CCOC(=O)CCCNc1c2ccccc2nc2ccccc12.
What is the InChIKey of ethyl 4-(acridin-9-ylamino)butanoate?
The InChIKey is IPGUTCAYRSZWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-2-23-18(22)12-7-13-20-19-14-8-3-5-10-16(14)21-17-11-6-4-9-15(17)19/h3-6,8-11H,2,7,12-13H2,1H3,(H,20,21).
What are the key properties of ethyl 4-(acridin-9-ylamino)butanoate?
ethyl 4-(acridin-9-ylamino)butanoate has a molecular weight of 308.38 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(acridin-9-ylamino)butanoate is sourced from PubChem (CID 162648656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).