(E)-N-[2,2-dimethyl-3-[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxypropoxy]-2,3,5,6,7,8-hexahydro-1H-acridin-4-imine

C28H36N4O2 — CID 56599310

IUPAC(E)-N-[2,2-dimethyl-3-[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxypropoxy]-2,3,5,6,7,8-hexahydro-1H-acridin-4-imine
SMILESCc1ccc2c(n1)/C(=N/OCC(C)(C)CO/N=C1\CCCc3cc4c(nc31)CCCC4)CCC2
InChIInChI=1S/C28H36N4O2/c1-19-14-15-20-9-6-12-24(26(20)29-19)31-33-17-28(2,3)18-34-32-25-13-7-10-22-16-21-8-4-5-11-23(21)30-27(22)25/h14-16H,4-13,17-18H2,1-3H3/b31-24+,32-25+
InChIKeyCFMKNTNCUFASGI-UXPPBCCBSA-N
MW460.62 g/mol
LogP5.50
Rot. Bonds6

About (E)-N-[2,2-dimethyl-3-[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxypropoxy]-2,3,5,6,7,8-hexahydro-1H-acridin-4-imine

(E)-N-[2,2-dimethyl-3-[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxypropoxy]-2,3,5,6,7,8-hexahydro-1H-acridin-4-imine (PubChem CID 56599310) has the molecular formula C28H36N4O2 and a molecular weight of 460.62 g/mol. Its IUPAC name is (E)-N-[2,2-dimethyl-3-[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxypropoxy]-2,3,5,6,7,8-hexahydro-1H-acridin-4-imine.

Molecular Properties

Compound Name(E)-N-[2,2-dimethyl-3-[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxypropoxy]-2,3,5,6,7,8-hexahydro-1H-acridin-4-imine
PubChem CID56599310
Molecular FormulaC28H36N4O2
Molecular Weight460.62 g/mol
Exact Mass460.28
IUPAC Name(E)-N-[2,2-dimethyl-3-[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxypropoxy]-2,3,5,6,7,8-hexahydro-1H-acridin-4-imine
SMILESCc1ccc2c(n1)/C(=N/OCC(C)(C)CO/N=C1\CCCc3cc4c(nc31)CCCC4)CCC2
InChIInChI=1S/C28H36N4O2/c1-19-14-15-20-9-6-12-24(26(20)29-19)31-33-17-28(2,3)18-34-32-25-13-7-10-22-16-21-8-4-5-11-23(21)30-27(22)25/h14-16H,4-13,17-18H2,1-3H3/b31-24+,32-25+
InChIKeyCFMKNTNCUFASGI-UXPPBCCBSA-N
XLogP5.50
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.62
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-N-[2,2-dimethyl-3-[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxypropoxy]-2,3,5,6,7,8-hexahydro-1H-acridin-4-imine 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 (E)-N-[2,2-dimethyl-3-[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxypropoxy]-2,3,5,6,7,8-hexahydro-1H-acridin-4-imine?
The IUPAC name of (E)-N-[2,2-dimethyl-3-[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxypropoxy]-2,3,5,6,7,8-hexahydro-1H-acridin-4-imine (CID 56599310) is (E)-N-[2,2-dimethyl-3-[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxypropoxy]-2,3,5,6,7,8-hexahydro-1H-acridin-4-imine.
What is the SMILES notation for (E)-N-[2,2-dimethyl-3-[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxypropoxy]-2,3,5,6,7,8-hexahydro-1H-acridin-4-imine?
The canonical SMILES for (E)-N-[2,2-dimethyl-3-[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxypropoxy]-2,3,5,6,7,8-hexahydro-1H-acridin-4-imine is Cc1ccc2c(n1)/C(=N/OCC(C)(C)CO/N=C1\CCCc3cc4c(nc31)CCCC4)CCC2.
What is the InChIKey of (E)-N-[2,2-dimethyl-3-[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxypropoxy]-2,3,5,6,7,8-hexahydro-1H-acridin-4-imine?
The InChIKey is CFMKNTNCUFASGI-UXPPBCCBSA-N. The full InChI is InChI=1S/C28H36N4O2/c1-19-14-15-20-9-6-12-24(26(20)29-19)31-33-17-28(2,3)18-34-32-25-13-7-10-22-16-21-8-4-5-11-23(21)30-27(22)25/h14-16H,4-13,17-18H2,1-3H3/b31-24+,32-25+.
What are the key properties of (E)-N-[2,2-dimethyl-3-[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxypropoxy]-2,3,5,6,7,8-hexahydro-1H-acridin-4-imine?
(E)-N-[2,2-dimethyl-3-[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxypropoxy]-2,3,5,6,7,8-hexahydro-1H-acridin-4-imine has a molecular weight of 460.62 g/mol, XLogP of 5.50, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2,2-dimethyl-3-[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxypropoxy]-2,3,5,6,7,8-hexahydro-1H-acridin-4-imine is sourced from PubChem (CID 56599310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).