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

C24H30ClN3O3 — CID 126753436

IUPACpropyl 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)-3,5-dimethylpiperazine-1-carboxylate
SMILESCCCOC(=O)N1CC(C)N(C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)C(C)C1
InChIInChI=1S/C24H30ClN3O3/c1-4-11-31-24(30)27-13-15(2)28(16(3)14-27)23(29)17-9-10-19-21(12-17)26-20-8-6-5-7-18(20)22(19)25/h9-10,12,15-16H,4-8,11,13-14H2,1-3H3
InChIKeyUGALOZSKXXWXFY-UHFFFAOYSA-N
MW443.98 g/mol
LogP4.85
Rot. Bonds3

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

propyl 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)-3,5-dimethylpiperazine-1-carboxylate (PubChem CID 126753436) has the molecular formula C24H30ClN3O3 and a molecular weight of 443.98 g/mol. Its IUPAC name is propyl 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)-3,5-dimethylpiperazine-1-carboxylate.

Molecular Properties

Compound Namepropyl 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)-3,5-dimethylpiperazine-1-carboxylate
PubChem CID126753436
Molecular FormulaC24H30ClN3O3
Molecular Weight443.98 g/mol
Exact Mass443.20
IUPAC Namepropyl 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)-3,5-dimethylpiperazine-1-carboxylate
SMILESCCCOC(=O)N1CC(C)N(C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)C(C)C1
InChIInChI=1S/C24H30ClN3O3/c1-4-11-31-24(30)27-13-15(2)28(16(3)14-27)23(29)17-9-10-19-21(12-17)26-20-8-6-5-7-18(20)22(19)25/h9-10,12,15-16H,4-8,11,13-14H2,1-3H3
InChIKeyUGALOZSKXXWXFY-UHFFFAOYSA-N
XLogP4.85
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.98
LogP ≤ 54.85
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-5,6,7,8-tetrahydroacridine-3-carbonyl)-3,5-dimethylpiperazine-1-carboxylate?
The IUPAC name of propyl 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)-3,5-dimethylpiperazine-1-carboxylate (CID 126753436) is propyl 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)-3,5-dimethylpiperazine-1-carboxylate.
What is the SMILES notation for propyl 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)-3,5-dimethylpiperazine-1-carboxylate?
The canonical SMILES for propyl 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)-3,5-dimethylpiperazine-1-carboxylate is CCCOC(=O)N1CC(C)N(C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)C(C)C1.
What is the InChIKey of propyl 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)-3,5-dimethylpiperazine-1-carboxylate?
The InChIKey is UGALOZSKXXWXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O3/c1-4-11-31-24(30)27-13-15(2)28(16(3)14-27)23(29)17-9-10-19-21(12-17)26-20-8-6-5-7-18(20)22(19)25/h9-10,12,15-16H,4-8,11,13-14H2,1-3H3.
What are the key properties of propyl 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)-3,5-dimethylpiperazine-1-carboxylate?
propyl 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)-3,5-dimethylpiperazine-1-carboxylate has a molecular weight of 443.98 g/mol, XLogP of 4.85, 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-5,6,7,8-tetrahydroacridine-3-carbonyl)-3,5-dimethylpiperazine-1-carboxylate is sourced from PubChem (CID 126753436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).