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

C23H28ClN3O3 — CID 126753386

IUPACpropyl 4-(9-chloro-6-methyl-5,6,7,8-tetrahydroacridine-3-carbonyl)piperazine-1-carboxylate
SMILESCCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)c4c(nc3c2)CC(C)CC4)CC1
InChIInChI=1S/C23H28ClN3O3/c1-3-12-30-23(29)27-10-8-26(9-11-27)22(28)16-5-7-18-20(14-16)25-19-13-15(2)4-6-17(19)21(18)24/h5,7,14-15H,3-4,6,8-13H2,1-2H3
InChIKeyPEDDWLGQRXNJMB-UHFFFAOYSA-N
MW429.95 g/mol
LogP4.32
Rot. Bonds3

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

propyl 4-(9-chloro-6-methyl-5,6,7,8-tetrahydroacridine-3-carbonyl)piperazine-1-carboxylate (PubChem CID 126753386) has the molecular formula C23H28ClN3O3 and a molecular weight of 429.95 g/mol. Its IUPAC name is propyl 4-(9-chloro-6-methyl-5,6,7,8-tetrahydroacridine-3-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namepropyl 4-(9-chloro-6-methyl-5,6,7,8-tetrahydroacridine-3-carbonyl)piperazine-1-carboxylate
PubChem CID126753386
Molecular FormulaC23H28ClN3O3
Molecular Weight429.95 g/mol
Exact Mass429.18
IUPAC Namepropyl 4-(9-chloro-6-methyl-5,6,7,8-tetrahydroacridine-3-carbonyl)piperazine-1-carboxylate
SMILESCCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)c4c(nc3c2)CC(C)CC4)CC1
InChIInChI=1S/C23H28ClN3O3/c1-3-12-30-23(29)27-10-8-26(9-11-27)22(28)16-5-7-18-20(14-16)25-19-13-15(2)4-6-17(19)21(18)24/h5,7,14-15H,3-4,6,8-13H2,1-2H3
InChIKeyPEDDWLGQRXNJMB-UHFFFAOYSA-N
XLogP4.32
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl 4-(9-chloro-6-methyl-5,6,7,8-tetrahydroacridine-3-carbonyl)piperazine-1-carboxylate?
The IUPAC name of propyl 4-(9-chloro-6-methyl-5,6,7,8-tetrahydroacridine-3-carbonyl)piperazine-1-carboxylate (CID 126753386) is propyl 4-(9-chloro-6-methyl-5,6,7,8-tetrahydroacridine-3-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for propyl 4-(9-chloro-6-methyl-5,6,7,8-tetrahydroacridine-3-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for propyl 4-(9-chloro-6-methyl-5,6,7,8-tetrahydroacridine-3-carbonyl)piperazine-1-carboxylate is CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)c4c(nc3c2)CC(C)CC4)CC1.
What is the InChIKey of propyl 4-(9-chloro-6-methyl-5,6,7,8-tetrahydroacridine-3-carbonyl)piperazine-1-carboxylate?
The InChIKey is PEDDWLGQRXNJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O3/c1-3-12-30-23(29)27-10-8-26(9-11-27)22(28)16-5-7-18-20(14-16)25-19-13-15(2)4-6-17(19)21(18)24/h5,7,14-15H,3-4,6,8-13H2,1-2H3.
What are the key properties of propyl 4-(9-chloro-6-methyl-5,6,7,8-tetrahydroacridine-3-carbonyl)piperazine-1-carboxylate?
propyl 4-(9-chloro-6-methyl-5,6,7,8-tetrahydroacridine-3-carbonyl)piperazine-1-carboxylate has a molecular weight of 429.95 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-(9-chloro-6-methyl-5,6,7,8-tetrahydroacridine-3-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 126753386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).