acridin-9-yl propanoate

C16H13NO2 — CID 174709653

IUPACacridin-9-yl propanoate
SMILESCCC(=O)Oc1c2ccccc2nc2ccccc12
InChIInChI=1S/C16H13NO2/c1-2-15(18)19-16-11-7-3-5-9-13(11)17-14-10-6-4-8-12(14)16/h3-10H,2H2,1H3
InChIKeyJIKGDLDBVBTFGG-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.70
Rot. Bonds2

About acridin-9-yl propanoate

acridin-9-yl propanoate (PubChem CID 174709653) has the molecular formula C16H13NO2 and a molecular weight of 251.28 g/mol. Its IUPAC name is acridin-9-yl propanoate.

Molecular Properties

Compound Nameacridin-9-yl propanoate
PubChem CID174709653
Molecular FormulaC16H13NO2
Molecular Weight251.28 g/mol
Exact Mass251.09
IUPAC Nameacridin-9-yl propanoate
SMILESCCC(=O)Oc1c2ccccc2nc2ccccc12
InChIInChI=1S/C16H13NO2/c1-2-15(18)19-16-11-7-3-5-9-13(11)17-14-10-6-4-8-12(14)16/h3-10H,2H2,1H3
InChIKeyJIKGDLDBVBTFGG-UHFFFAOYSA-N
XLogP3.70
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

acridin-9-yl hydrogen carbonate
CID 54493221
(2,3-dimethyl-10-propanoyloxyanthracen-9-yl) propanoate
CID 135239606
(4-amino-2-cyclopropylquinolin-3-yl) propanoate
CID 174944760
quinolin-4-yl propanoate
CID 174834385
phenyl propanoate
CID 161258381
[6-(4-methylphenyl)benzo[a]phenazin-5-yl] propanoate
CID 3696276
CID 161494205
CID 161494205
1,3-benzoxazol-2-yl propanoate
CID 57266328
phenyl butanoate;phenyl propanoate
CID 139490117
acetamide;phenyl propanoate
CID 175120271
methyl acridine-9-carboxylate
CID 21211
(6-phenylbenzo[a]phenazin-5-yl) butanoate
CID 3843083

Frequently Asked Questions

What is the IUPAC name of acridin-9-yl propanoate?
The IUPAC name of acridin-9-yl propanoate (CID 174709653) is acridin-9-yl propanoate.
What is the SMILES notation for acridin-9-yl propanoate?
The canonical SMILES for acridin-9-yl propanoate is CCC(=O)Oc1c2ccccc2nc2ccccc12.
What is the InChIKey of acridin-9-yl propanoate?
The InChIKey is JIKGDLDBVBTFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-2-15(18)19-16-11-7-3-5-9-13(11)17-14-10-6-4-8-12(14)16/h3-10H,2H2,1H3.
What are the key properties of acridin-9-yl propanoate?
acridin-9-yl propanoate has a molecular weight of 251.28 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acridin-9-yl propanoate is sourced from PubChem (CID 174709653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).