propyl 3-(acridin-9-ylamino)propanoate

C19H20N2O2 — CID 162669182

IUPACpropyl 3-(acridin-9-ylamino)propanoate
SMILESCCCOC(=O)CCNc1c2ccccc2nc2ccccc12
InChIInChI=1S/C19H20N2O2/c1-2-13-23-18(22)11-12-20-19-14-7-3-5-9-16(14)21-17-10-6-4-8-15(17)19/h3-10H,2,11-13H2,1H3,(H,20,21)
InChIKeyWQZGZLLETTVRRQ-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.14
Rot. Bonds6

About propyl 3-(acridin-9-ylamino)propanoate

propyl 3-(acridin-9-ylamino)propanoate (PubChem CID 162669182) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is propyl 3-(acridin-9-ylamino)propanoate.

Molecular Properties

Compound Namepropyl 3-(acridin-9-ylamino)propanoate
PubChem CID162669182
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Namepropyl 3-(acridin-9-ylamino)propanoate
SMILESCCCOC(=O)CCNc1c2ccccc2nc2ccccc12
InChIInChI=1S/C19H20N2O2/c1-2-13-23-18(22)11-12-20-19-14-7-3-5-9-16(14)21-17-10-6-4-8-15(17)19/h3-10H,2,11-13H2,1H3,(H,20,21)
InChIKeyWQZGZLLETTVRRQ-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': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propyl 3-(acridin-9-ylamino)propanoate?
The IUPAC name of propyl 3-(acridin-9-ylamino)propanoate (CID 162669182) is propyl 3-(acridin-9-ylamino)propanoate.
What is the SMILES notation for propyl 3-(acridin-9-ylamino)propanoate?
The canonical SMILES for propyl 3-(acridin-9-ylamino)propanoate is CCCOC(=O)CCNc1c2ccccc2nc2ccccc12.
What is the InChIKey of propyl 3-(acridin-9-ylamino)propanoate?
The InChIKey is WQZGZLLETTVRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-2-13-23-18(22)11-12-20-19-14-7-3-5-9-16(14)21-17-10-6-4-8-15(17)19/h3-10H,2,11-13H2,1H3,(H,20,21).
What are the key properties of propyl 3-(acridin-9-ylamino)propanoate?
propyl 3-(acridin-9-ylamino)propanoate 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 propyl 3-(acridin-9-ylamino)propanoate is sourced from PubChem (CID 162669182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).