10-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl carbamate

C24H34ClN3O2 — CID 123212163

IUPAC10-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl carbamate
SMILESNC(=O)OCCCCCCCCCCNc1c2c(nc3ccc(Cl)cc13)CCCC2
InChIInChI=1S/C24H34ClN3O2/c25-18-13-14-22-20(17-18)23(19-11-7-8-12-21(19)28-22)27-15-9-5-3-1-2-4-6-10-16-30-24(26)29/h13-14,17H,1-12,15-16H2,(H2,26,29)(H,27,28)
InChIKeyBTLGTDPKWOPBSN-UHFFFAOYSA-N
MW432.01 g/mol
LogP6.39
Rot. Bonds12

About 10-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl carbamate

10-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl carbamate (PubChem CID 123212163) has the molecular formula C24H34ClN3O2 and a molecular weight of 432.01 g/mol. Its IUPAC name is 10-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl carbamate.

Molecular Properties

Compound Name10-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl carbamate
PubChem CID123212163
Molecular FormulaC24H34ClN3O2
Molecular Weight432.01 g/mol
Exact Mass431.23
IUPAC Name10-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl carbamate
SMILESNC(=O)OCCCCCCCCCCNc1c2c(nc3ccc(Cl)cc13)CCCC2
InChIInChI=1S/C24H34ClN3O2/c25-18-13-14-22-20(17-18)23(19-11-7-8-12-21(19)28-22)27-15-9-5-3-1-2-4-6-10-16-30-24(26)29/h13-14,17H,1-12,15-16H2,(H2,26,29)(H,27,28)
InChIKeyBTLGTDPKWOPBSN-UHFFFAOYSA-N
XLogP6.39
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.01
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 10-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl carbamate 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 10-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl carbamate?
The IUPAC name of 10-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl carbamate (CID 123212163) is 10-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl carbamate.
What is the SMILES notation for 10-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl carbamate?
The canonical SMILES for 10-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl carbamate is NC(=O)OCCCCCCCCCCNc1c2c(nc3ccc(Cl)cc13)CCCC2.
What is the InChIKey of 10-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl carbamate?
The InChIKey is BTLGTDPKWOPBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34ClN3O2/c25-18-13-14-22-20(17-18)23(19-11-7-8-12-21(19)28-22)27-15-9-5-3-1-2-4-6-10-16-30-24(26)29/h13-14,17H,1-12,15-16H2,(H2,26,29)(H,27,28).
What are the key properties of 10-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl carbamate?
10-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl carbamate has a molecular weight of 432.01 g/mol, XLogP of 6.39, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl carbamate is sourced from PubChem (CID 123212163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).