(9-phenyl-10H-acridin-9-yl) propanoate

C22H19NO2 — CID 14400641

IUPAC(9-phenyl-10H-acridin-9-yl) propanoate
SMILESCCC(=O)OC1(c2ccccc2)c2ccccc2Nc2ccccc21
InChIInChI=1S/C22H19NO2/c1-2-21(24)25-22(16-10-4-3-5-11-16)17-12-6-8-14-19(17)23-20-15-9-7-13-18(20)22/h3-15,23H,2H2,1H3
InChIKeyOEUPHXFBFJZMGW-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.99
Rot. Bonds3

About (9-phenyl-10H-acridin-9-yl) propanoate

(9-phenyl-10H-acridin-9-yl) propanoate (PubChem CID 14400641) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (9-phenyl-10H-acridin-9-yl) propanoate.

Molecular Properties

Compound Name(9-phenyl-10H-acridin-9-yl) propanoate
PubChem CID14400641
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name(9-phenyl-10H-acridin-9-yl) propanoate
SMILESCCC(=O)OC1(c2ccccc2)c2ccccc2Nc2ccccc21
InChIInChI=1S/C22H19NO2/c1-2-21(24)25-22(16-10-4-3-5-11-16)17-12-6-8-14-19(17)23-20-15-9-7-13-18(20)22/h3-15,23H,2H2,1H3
InChIKeyOEUPHXFBFJZMGW-UHFFFAOYSA-N
XLogP4.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxypropane-1,2,3-tricarboxylic acid;(9-phenyl-10H-acridin-9-yl) propanoate
CID 24832715
9-ethoxy-9-phenyl-10H-acridine
CID 14400633
(2-oxo-3-phenyl-1H-indol-3-yl) acetate
CID 132917487
methyl 9-phenyl-10H-acridine-9-carboxylate
CID 13466258
[4-[2-oxo-3-(4-propanoyloxyphenyl)-1H-indol-3-yl]phenyl] propanoate
CID 170900337
3-phenoxy-3-phenyl-1H-indol-2-one
CID 86077278
[(3S,4S)-1,4-dimethyl-3-phenylpyrrolidin-3-yl] propanoate
CID 97299990
methyl 2-[(3S)-3-methyl-2-sulfanylidene-1H-indol-3-yl]acetate
CID 125489935
(1,2-dimethyl-4-phenylpiperidin-4-yl) propanoate
CID 4741130
(1,3,3-trimethyl-4-phenylpiperidin-4-yl) propanoate
CID 21120815
(10-oxo-9-phenylthioxanthen-9-yl) 2-methylprop-2-enoate
CID 67891178
(4-ethyl-1-methyl-3-phenylpyrrolidin-3-yl) propanoate;hydrochloride
CID 117067300

Frequently Asked Questions

What is the IUPAC name of (9-phenyl-10H-acridin-9-yl) propanoate?
The IUPAC name of (9-phenyl-10H-acridin-9-yl) propanoate (CID 14400641) is (9-phenyl-10H-acridin-9-yl) propanoate.
What is the SMILES notation for (9-phenyl-10H-acridin-9-yl) propanoate?
The canonical SMILES for (9-phenyl-10H-acridin-9-yl) propanoate is CCC(=O)OC1(c2ccccc2)c2ccccc2Nc2ccccc21.
What is the InChIKey of (9-phenyl-10H-acridin-9-yl) propanoate?
The InChIKey is OEUPHXFBFJZMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2/c1-2-21(24)25-22(16-10-4-3-5-11-16)17-12-6-8-14-19(17)23-20-15-9-7-13-18(20)22/h3-15,23H,2H2,1H3.
What are the key properties of (9-phenyl-10H-acridin-9-yl) propanoate?
(9-phenyl-10H-acridin-9-yl) propanoate has a molecular weight of 329.40 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-phenyl-10H-acridin-9-yl) propanoate is sourced from PubChem (CID 14400641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).