propyl 4-(acridin-9-ylamino)butanoate

C20H22N2O2 — CID 162653417

IUPACpropyl 4-(acridin-9-ylamino)butanoate
SMILESCCCOC(=O)CCCNc1c2ccccc2nc2ccccc12
InChIInChI=1S/C20H22N2O2/c1-2-14-24-19(23)12-7-13-21-20-15-8-3-5-10-17(15)22-18-11-6-4-9-16(18)20/h3-6,8-11H,2,7,12-14H2,1H3,(H,21,22)
InChIKeyDPYYIULNOUOGHA-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.53
Rot. Bonds7

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

propyl 4-(acridin-9-ylamino)butanoate (PubChem CID 162653417) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is propyl 4-(acridin-9-ylamino)butanoate.

Molecular Properties

Compound Namepropyl 4-(acridin-9-ylamino)butanoate
PubChem CID162653417
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Namepropyl 4-(acridin-9-ylamino)butanoate
SMILESCCCOC(=O)CCCNc1c2ccccc2nc2ccccc12
InChIInChI=1S/C20H22N2O2/c1-2-14-24-19(23)12-7-13-21-20-15-8-3-5-10-17(15)22-18-11-6-4-9-16(18)20/h3-6,8-11H,2,7,12-14H2,1H3,(H,21,22)
InChIKeyDPYYIULNOUOGHA-UHFFFAOYSA-N
XLogP4.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.53
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'}

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Frequently Asked Questions

What is the IUPAC name of propyl 4-(acridin-9-ylamino)butanoate?
The IUPAC name of propyl 4-(acridin-9-ylamino)butanoate (CID 162653417) is propyl 4-(acridin-9-ylamino)butanoate.
What is the SMILES notation for propyl 4-(acridin-9-ylamino)butanoate?
The canonical SMILES for propyl 4-(acridin-9-ylamino)butanoate is CCCOC(=O)CCCNc1c2ccccc2nc2ccccc12.
What is the InChIKey of propyl 4-(acridin-9-ylamino)butanoate?
The InChIKey is DPYYIULNOUOGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-2-14-24-19(23)12-7-13-21-20-15-8-3-5-10-17(15)22-18-11-6-4-9-16(18)20/h3-6,8-11H,2,7,12-14H2,1H3,(H,21,22).
What are the key properties of propyl 4-(acridin-9-ylamino)butanoate?
propyl 4-(acridin-9-ylamino)butanoate has a molecular weight of 322.41 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-(acridin-9-ylamino)butanoate is sourced from PubChem (CID 162653417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).