tert-butyl 9H-acridine-10-carboxylate

C18H19NO2 — CID 102499784

IUPACtert-butyl 9H-acridine-10-carboxylate
SMILESCC(C)(C)OC(=O)N1c2ccccc2Cc2ccccc21
InChIInChI=1S/C18H19NO2/c1-18(2,3)21-17(20)19-15-10-6-4-8-13(15)12-14-9-5-7-11-16(14)19/h4-11H,12H2,1-3H3
InChIKeyBXAPXVDNEZVHIY-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.66
Rot. Bonds

About tert-butyl 9H-acridine-10-carboxylate

tert-butyl 9H-acridine-10-carboxylate (PubChem CID 102499784) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is tert-butyl 9H-acridine-10-carboxylate.

Molecular Properties

Compound Nametert-butyl 9H-acridine-10-carboxylate
PubChem CID102499784
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Nametert-butyl 9H-acridine-10-carboxylate
SMILESCC(C)(C)OC(=O)N1c2ccccc2Cc2ccccc21
InChIInChI=1S/C18H19NO2/c1-18(2,3)21-17(20)19-15-10-6-4-8-13(15)12-14-9-5-7-11-16(14)19/h4-11H,12H2,1-3H3
InChIKeyBXAPXVDNEZVHIY-UHFFFAOYSA-N
XLogP4.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze tert-butyl 9H-acridine-10-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

tert-butyl 9-nitroso-9H-acridine-10-carboxylate
CID 102127033
tert-butyl 2-hydroxy-2,3-dihydroindole-1-carboxylate
CID 11287775
tert-butyl (3R)-3-(4-methoxyphenyl)-2-oxo-3,4-dihydroquinoline-1-carboxylate
CID 154717007
9H-acridine-10-carbonyl chloride
CID 165358723
tert-butyl 4-(2-oxo-3H-indol-1-yl)piperidine-1-carboxylate
CID 67472855
tert-butyl 5-hydroxy-2-oxo-3H-indole-1-carboxylate
CID 155928671
1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-2-carboxylate
CID 78438994
tert-butyl 6-bromo-2-oxo-3H-indole-1-carboxylate
CID 58154275
1-O-tert-butyl 2-O-methyl (2S)-2,3-dihydroindole-1,2-dicarboxylate
CID 7169783
tert-butyl (1aS,6aR)-6,6a-dihydro-1aH-indeno[1,2-b]azirine-1-carboxylate
CID 89059424
tert-butyl 3-formyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 90005169
tert-butyl (2S)-2-(4-fluorophenyl)-2,3-dihydroindole-1-carboxylate
CID 11681181

Frequently Asked Questions

What is the IUPAC name of tert-butyl 9H-acridine-10-carboxylate?
The IUPAC name of tert-butyl 9H-acridine-10-carboxylate (CID 102499784) is tert-butyl 9H-acridine-10-carboxylate.
What is the SMILES notation for tert-butyl 9H-acridine-10-carboxylate?
The canonical SMILES for tert-butyl 9H-acridine-10-carboxylate is CC(C)(C)OC(=O)N1c2ccccc2Cc2ccccc21.
What is the InChIKey of tert-butyl 9H-acridine-10-carboxylate?
The InChIKey is BXAPXVDNEZVHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-18(2,3)21-17(20)19-15-10-6-4-8-13(15)12-14-9-5-7-11-16(14)19/h4-11H,12H2,1-3H3.
What are the key properties of tert-butyl 9H-acridine-10-carboxylate?
tert-butyl 9H-acridine-10-carboxylate has a molecular weight of 281.36 g/mol, XLogP of 4.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 9H-acridine-10-carboxylate is sourced from PubChem (CID 102499784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).