methyl 9-phenyl-10H-acridine-9-carboxylate

C21H17NO2 — CID 13466258

IUPACmethyl 9-phenyl-10H-acridine-9-carboxylate
SMILESCOC(=O)C1(c2ccccc2)c2ccccc2Nc2ccccc21
InChIInChI=1S/C21H17NO2/c1-24-20(23)21(15-9-3-2-4-10-15)16-11-5-7-13-18(16)22-19-14-8-6-12-17(19)21/h2-14,22H,1H3
InChIKeyWURAHYVIILSTRI-UHFFFAOYSA-N
MW315.37 g/mol
LogP4.25
Rot. Bonds2

About methyl 9-phenyl-10H-acridine-9-carboxylate

methyl 9-phenyl-10H-acridine-9-carboxylate (PubChem CID 13466258) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is methyl 9-phenyl-10H-acridine-9-carboxylate.

Molecular Properties

Compound Namemethyl 9-phenyl-10H-acridine-9-carboxylate
PubChem CID13466258
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC Namemethyl 9-phenyl-10H-acridine-9-carboxylate
SMILESCOC(=O)C1(c2ccccc2)c2ccccc2Nc2ccccc21
InChIInChI=1S/C21H17NO2/c1-24-20(23)21(15-9-3-2-4-10-15)16-11-5-7-13-18(16)22-19-14-8-6-12-17(19)21/h2-14,22H,1H3
InChIKeyWURAHYVIILSTRI-UHFFFAOYSA-N
XLogP4.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 9-phenyl-10H-acridine-9-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-methyl-2-oxo-1H-indole-3-carboxylate
CID 19848647
(9-phenyl-10H-acridin-9-yl) propanoate
CID 14400641
methyl (Z)-2-(4,4-diphenyl-1H-quinazolin-2-yl)-3-hydroxybut-2-enoate
CID 135750229
methyl 4-methyl-2-oxo-1H-3,1-benzoxazine-4-carboxylate
CID 71502137
methyl 2-[(3S)-3-methyl-2-sulfanylidene-1H-indol-3-yl]acetate
CID 125489935
methyl 2-phenylazepane-2-carboxylate
CID 102027504
(2-oxo-3-phenyl-1H-indol-3-yl) acetate
CID 132917487
1-(9-methyl-10H-acridin-9-yl)ethanone
CID 162143762
methyl 3-(3-hydroxy-2-oxo-1H-indol-3-yl)propanoate
CID 14903574
methyl (1S)-2,2-dichloro-1-phenylcyclopropane-1-carboxylate
CID 7127361
methyl (1S)-1,2,2-triphenylcyclopropane-1-carboxylate
CID 100975897
9-ethoxy-9-phenyl-10H-acridine
CID 14400633

Frequently Asked Questions

What is the IUPAC name of methyl 9-phenyl-10H-acridine-9-carboxylate?
The IUPAC name of methyl 9-phenyl-10H-acridine-9-carboxylate (CID 13466258) is methyl 9-phenyl-10H-acridine-9-carboxylate.
What is the SMILES notation for methyl 9-phenyl-10H-acridine-9-carboxylate?
The canonical SMILES for methyl 9-phenyl-10H-acridine-9-carboxylate is COC(=O)C1(c2ccccc2)c2ccccc2Nc2ccccc21.
What is the InChIKey of methyl 9-phenyl-10H-acridine-9-carboxylate?
The InChIKey is WURAHYVIILSTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2/c1-24-20(23)21(15-9-3-2-4-10-15)16-11-5-7-13-18(16)22-19-14-8-6-12-17(19)21/h2-14,22H,1H3.
What are the key properties of methyl 9-phenyl-10H-acridine-9-carboxylate?
methyl 9-phenyl-10H-acridine-9-carboxylate has a molecular weight of 315.37 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-phenyl-10H-acridine-9-carboxylate is sourced from PubChem (CID 13466258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).