2-[4-methyl-9-oxo-3-(2-phenylethyl)acridin-10-yl]acetic acid

C24H21NO3 — CID 138658257

IUPAC2-[4-methyl-9-oxo-3-(2-phenylethyl)acridin-10-yl]acetic acid
SMILESCc1c(CCc2ccccc2)ccc2c(=O)c3ccccc3n(CC(=O)O)c12
InChIInChI=1S/C24H21NO3/c1-16-18(12-11-17-7-3-2-4-8-17)13-14-20-23(16)25(15-22(26)27)21-10-6-5-9-19(21)24(20)28/h2-10,13-14H,11-12,15H2,1H3,(H,26,27)
InChIKeyFFTZFRZLAXUVIQ-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.33
Rot. Bonds5

About 2-[4-methyl-9-oxo-3-(2-phenylethyl)acridin-10-yl]acetic acid

2-[4-methyl-9-oxo-3-(2-phenylethyl)acridin-10-yl]acetic acid (PubChem CID 138658257) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[4-methyl-9-oxo-3-(2-phenylethyl)acridin-10-yl]acetic acid.

Molecular Properties

Compound Name2-[4-methyl-9-oxo-3-(2-phenylethyl)acridin-10-yl]acetic acid
PubChem CID138658257
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC Name2-[4-methyl-9-oxo-3-(2-phenylethyl)acridin-10-yl]acetic acid
SMILESCc1c(CCc2ccccc2)ccc2c(=O)c3ccccc3n(CC(=O)O)c12
InChIInChI=1S/C24H21NO3/c1-16-18(12-11-17-7-3-2-4-8-17)13-14-20-23(16)25(15-22(26)27)21-10-6-5-9-19(21)24(20)28/h2-10,13-14H,11-12,15H2,1H3,(H,26,27)
InChIKeyFFTZFRZLAXUVIQ-UHFFFAOYSA-N
XLogP4.33
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-oxo-2-(2-phenylethyl)quinazolin-1-yl]acetic acid
CID 58788257
2-(4-chloro-2-methyl-9-oxoacridin-10-yl)acetic acid
CID 138657966
2-(9-benzyl-1-methylcarbazol-2-yl)acetamide
CID 71397775
1-ethyl-3-methyl-4-oxoquinoline-2-carboxylic acid
CID 82242836
2-[2-[2-(3,4-difluorophenyl)ethyl]-4-oxoquinazolin-1-yl]acetic acid
CID 58788366
2-(3-chloro-4-ethyl-6-methyl-9-oxoacridin-10-yl)acetic acid;2-(5-ethyl-3-methyl-9-oxoacridin-10-yl)acetic acid
CID 164986153
10-(3-aminopropyl)-3,4-dimethylacridin-9-one;(Z)-but-2-enedioic acid
CID 56972172
1-(2,3-dihydroxypropyl)-3-methyl-4-oxoquinoline-2-carboxylic acid
CID 82248606
2-(2-methyl-3-sulfamoylindol-1-yl)acetic acid
CID 82696049
2-(9-oxoacridin-10-yl)acetyl chloride
CID 15839148
(2R,3R,4R,5S)-6-(ethylamino)hexane-1,2,3,4,5-pentol;2-(9-oxoacridin-10-yl)acetic acid
CID 16739203
2-[3-[2-[methanethioyl(2-phenylethyl)amino]ethyl]-2-methylindol-1-yl]acetic acid
CID 143820974

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-9-oxo-3-(2-phenylethyl)acridin-10-yl]acetic acid?
The IUPAC name of 2-[4-methyl-9-oxo-3-(2-phenylethyl)acridin-10-yl]acetic acid (CID 138658257) is 2-[4-methyl-9-oxo-3-(2-phenylethyl)acridin-10-yl]acetic acid.
What is the SMILES notation for 2-[4-methyl-9-oxo-3-(2-phenylethyl)acridin-10-yl]acetic acid?
The canonical SMILES for 2-[4-methyl-9-oxo-3-(2-phenylethyl)acridin-10-yl]acetic acid is Cc1c(CCc2ccccc2)ccc2c(=O)c3ccccc3n(CC(=O)O)c12.
What is the InChIKey of 2-[4-methyl-9-oxo-3-(2-phenylethyl)acridin-10-yl]acetic acid?
The InChIKey is FFTZFRZLAXUVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO3/c1-16-18(12-11-17-7-3-2-4-8-17)13-14-20-23(16)25(15-22(26)27)21-10-6-5-9-19(21)24(20)28/h2-10,13-14H,11-12,15H2,1H3,(H,26,27).
What are the key properties of 2-[4-methyl-9-oxo-3-(2-phenylethyl)acridin-10-yl]acetic acid?
2-[4-methyl-9-oxo-3-(2-phenylethyl)acridin-10-yl]acetic acid has a molecular weight of 371.44 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-9-oxo-3-(2-phenylethyl)acridin-10-yl]acetic acid is sourced from PubChem (CID 138658257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).