methyl 10-methyl-1H-acridine-9-carboxylate

C16H15NO2 — CID 22476889

IUPACmethyl 10-methyl-1H-acridine-9-carboxylate
SMILESCOC(=O)C1=C2CC=CC=C2N(C)c2ccccc21
InChIInChI=1S/C16H15NO2/c1-17-13-9-5-3-7-11(13)15(16(18)19-2)12-8-4-6-10-14(12)17/h3-7,9-10H,8H2,1-2H3
InChIKeyMNNLKUBNKBJWBU-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.91
Rot. Bonds1

About methyl 10-methyl-1H-acridine-9-carboxylate

methyl 10-methyl-1H-acridine-9-carboxylate (PubChem CID 22476889) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 10-methyl-1H-acridine-9-carboxylate.

Molecular Properties

Compound Namemethyl 10-methyl-1H-acridine-9-carboxylate
PubChem CID22476889
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Namemethyl 10-methyl-1H-acridine-9-carboxylate
SMILESCOC(=O)C1=C2CC=CC=C2N(C)c2ccccc21
InChIInChI=1S/C16H15NO2/c1-17-13-9-5-3-7-11(13)15(16(18)19-2)12-8-4-6-10-14(12)17/h3-7,9-10H,8H2,1-2H3
InChIKeyMNNLKUBNKBJWBU-UHFFFAOYSA-N
XLogP2.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 10-methyl-1H-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

(2,3,4,5,6-pentadeuteriophenyl) 10-methyl-1H-acridine-9-carboxylate
CID 91427743
10-(trideuteriomethyl)-1H-acridine-9-carboxylic acid
CID 90690422
(2,3,4,5,6-pentadeuteriophenyl) 10-(trideuteriomethyl)-1H-acridine-9-carboxylate
CID 91350654
10-methyl-9-phenyl-1H-acridine
CID 91525985
10-methyl-1H-acridine-9-carbonitrile
CID 91212501
dimethyl 1,2,5-trimethyl-1-benzazepine-3,4-dicarboxylate
CID 13143653
(2S)-N-[4-(10-methyl-1H-acridin-9-yl)phenyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 69434786
4-[[9-[10-[(4-methoxycarbonylphenyl)methyl]-1H-acridin-9-yl]-1H-acridin-10-yl]methyl]benzoic acid
CID 91016673
dimethyl 6H-benzo[d][1,3]benzodiazepine-5,7-dicarboxylate
CID 67225475
methyl (2E)-2-(1-methyl-2-oxoindol-3-ylidene)acetate
CID 11367934
dimethyl 2-ethoxy-1-methyl-1-benzazepine-3,4-dicarboxylate
CID 134915640
methyl 2-methyl-3-oxoindene-1-carboxylate
CID 608758

Frequently Asked Questions

What is the IUPAC name of methyl 10-methyl-1H-acridine-9-carboxylate?
The IUPAC name of methyl 10-methyl-1H-acridine-9-carboxylate (CID 22476889) is methyl 10-methyl-1H-acridine-9-carboxylate.
What is the SMILES notation for methyl 10-methyl-1H-acridine-9-carboxylate?
The canonical SMILES for methyl 10-methyl-1H-acridine-9-carboxylate is COC(=O)C1=C2CC=CC=C2N(C)c2ccccc21.
What is the InChIKey of methyl 10-methyl-1H-acridine-9-carboxylate?
The InChIKey is MNNLKUBNKBJWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-17-13-9-5-3-7-11(13)15(16(18)19-2)12-8-4-6-10-14(12)17/h3-7,9-10H,8H2,1-2H3.
What are the key properties of methyl 10-methyl-1H-acridine-9-carboxylate?
methyl 10-methyl-1H-acridine-9-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10-methyl-1H-acridine-9-carboxylate is sourced from PubChem (CID 22476889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).