methyl 10-phenyl-2,3,4,9-tetrahydro-1H-acridine-3-carboxylate

C21H21NO2 — CID 70955528

IUPACmethyl 10-phenyl-2,3,4,9-tetrahydro-1H-acridine-3-carboxylate
SMILESCOC(=O)C1CCC2=C(C1)N(c1ccccc1)c1ccccc1C2
InChIInChI=1S/C21H21NO2/c1-24-21(23)17-12-11-16-13-15-7-5-6-10-19(15)22(20(16)14-17)18-8-3-2-4-9-18/h2-10,17H,11-14H2,1H3
InChIKeyRIQFFBVBDIATLL-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.61
Rot. Bonds2

About methyl 10-phenyl-2,3,4,9-tetrahydro-1H-acridine-3-carboxylate

methyl 10-phenyl-2,3,4,9-tetrahydro-1H-acridine-3-carboxylate (PubChem CID 70955528) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is methyl 10-phenyl-2,3,4,9-tetrahydro-1H-acridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 10-phenyl-2,3,4,9-tetrahydro-1H-acridine-3-carboxylate
PubChem CID70955528
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Namemethyl 10-phenyl-2,3,4,9-tetrahydro-1H-acridine-3-carboxylate
SMILESCOC(=O)C1CCC2=C(C1)N(c1ccccc1)c1ccccc1C2
InChIInChI=1S/C21H21NO2/c1-24-21(23)17-12-11-16-13-15-7-5-6-10-19(15)22(20(16)14-17)18-8-3-2-4-9-18/h2-10,17H,11-14H2,1H3
InChIKeyRIQFFBVBDIATLL-UHFFFAOYSA-N
XLogP4.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 10-phenyl-2,3,4,9-tetrahydro-1H-acridine-3-carboxylate?
The IUPAC name of methyl 10-phenyl-2,3,4,9-tetrahydro-1H-acridine-3-carboxylate (CID 70955528) is methyl 10-phenyl-2,3,4,9-tetrahydro-1H-acridine-3-carboxylate.
What is the SMILES notation for methyl 10-phenyl-2,3,4,9-tetrahydro-1H-acridine-3-carboxylate?
The canonical SMILES for methyl 10-phenyl-2,3,4,9-tetrahydro-1H-acridine-3-carboxylate is COC(=O)C1CCC2=C(C1)N(c1ccccc1)c1ccccc1C2.
What is the InChIKey of methyl 10-phenyl-2,3,4,9-tetrahydro-1H-acridine-3-carboxylate?
The InChIKey is RIQFFBVBDIATLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-24-21(23)17-12-11-16-13-15-7-5-6-10-19(15)22(20(16)14-17)18-8-3-2-4-9-18/h2-10,17H,11-14H2,1H3.
What are the key properties of methyl 10-phenyl-2,3,4,9-tetrahydro-1H-acridine-3-carboxylate?
methyl 10-phenyl-2,3,4,9-tetrahydro-1H-acridine-3-carboxylate has a molecular weight of 319.40 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10-phenyl-2,3,4,9-tetrahydro-1H-acridine-3-carboxylate is sourced from PubChem (CID 70955528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).