methyl 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)piperazine-1-carboxylate

C20H22ClN3O3 — CID 155528154

IUPACmethyl 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)CC1
InChIInChI=1S/C20H22ClN3O3/c1-27-20(26)24-10-8-23(9-11-24)19(25)13-6-7-15-17(12-13)22-16-5-3-2-4-14(16)18(15)21/h6-7,12H,2-5,8-11H2,1H3
InChIKeyGXIKAGMCWOUGCC-UHFFFAOYSA-N
MW387.87 g/mol
LogP3.29
Rot. Bonds1

About methyl 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)piperazine-1-carboxylate

methyl 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)piperazine-1-carboxylate (PubChem CID 155528154) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is methyl 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)piperazine-1-carboxylate
PubChem CID155528154
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Namemethyl 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)CC1
InChIInChI=1S/C20H22ClN3O3/c1-27-20(26)24-10-8-23(9-11-24)19(25)13-6-7-15-17(12-13)22-16-5-3-2-4-14(16)18(15)21/h6-7,12H,2-5,8-11H2,1H3
InChIKeyGXIKAGMCWOUGCC-UHFFFAOYSA-N
XLogP3.29
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)piperazine-1-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)piperazine-1-carboxylate?
The IUPAC name of methyl 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)piperazine-1-carboxylate (CID 155528154) is methyl 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for methyl 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)piperazine-1-carboxylate is COC(=O)N1CCN(C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)CC1.
What is the InChIKey of methyl 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)piperazine-1-carboxylate?
The InChIKey is GXIKAGMCWOUGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-27-20(26)24-10-8-23(9-11-24)19(25)13-6-7-15-17(12-13)22-16-5-3-2-4-14(16)18(15)21/h6-7,12H,2-5,8-11H2,1H3.
What are the key properties of methyl 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)piperazine-1-carboxylate?
methyl 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)piperazine-1-carboxylate has a molecular weight of 387.87 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 155528154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).