(E)-9-methyl-N-[3-[(E)-(9-methyl-2,3-dihydro-1H-acridin-4-ylidene)amino]oxypropoxy]-2,3-dihydro-1H-acridin-4-imine

C31H32N4O2 — CID 88583620

IUPAC(E)-9-methyl-N-[3-[(E)-(9-methyl-2,3-dihydro-1H-acridin-4-ylidene)amino]oxypropoxy]-2,3-dihydro-1H-acridin-4-imine
SMILESCc1c2c(nc3ccccc13)/C(=N/OCCCO/N=C1\CCCc3c1nc1ccccc1c3C)CCC2
InChIInChI=1S/C31H32N4O2/c1-20-22-10-3-5-14-26(22)32-30-24(20)12-7-16-28(30)34-36-18-9-19-37-35-29-17-8-13-25-21(2)23-11-4-6-15-27(23)33-31(25)29/h3-6,10-11,14-15H,7-9,12-13,16-19H2,1-2H3/b34-28+,35-29+
InChIKeySBKZGBYUTPXFDW-FFUAXAOHSA-N
MW492.62 g/mol
LogP6.60
Rot. Bonds6

About (E)-9-methyl-N-[3-[(E)-(9-methyl-2,3-dihydro-1H-acridin-4-ylidene)amino]oxypropoxy]-2,3-dihydro-1H-acridin-4-imine

(E)-9-methyl-N-[3-[(E)-(9-methyl-2,3-dihydro-1H-acridin-4-ylidene)amino]oxypropoxy]-2,3-dihydro-1H-acridin-4-imine (PubChem CID 88583620) has the molecular formula C31H32N4O2 and a molecular weight of 492.62 g/mol. Its IUPAC name is (E)-9-methyl-N-[3-[(E)-(9-methyl-2,3-dihydro-1H-acridin-4-ylidene)amino]oxypropoxy]-2,3-dihydro-1H-acridin-4-imine.

Molecular Properties

Compound Name(E)-9-methyl-N-[3-[(E)-(9-methyl-2,3-dihydro-1H-acridin-4-ylidene)amino]oxypropoxy]-2,3-dihydro-1H-acridin-4-imine
PubChem CID88583620
Molecular FormulaC31H32N4O2
Molecular Weight492.62 g/mol
Exact Mass492.25
IUPAC Name(E)-9-methyl-N-[3-[(E)-(9-methyl-2,3-dihydro-1H-acridin-4-ylidene)amino]oxypropoxy]-2,3-dihydro-1H-acridin-4-imine
SMILESCc1c2c(nc3ccccc13)/C(=N/OCCCO/N=C1\CCCc3c1nc1ccccc1c3C)CCC2
InChIInChI=1S/C31H32N4O2/c1-20-22-10-3-5-14-26(22)32-30-24(20)12-7-16-28(30)34-36-18-9-19-37-35-29-17-8-13-25-21(2)23-11-4-6-15-27(23)33-31(25)29/h3-6,10-11,14-15H,7-9,12-13,16-19H2,1-2H3/b34-28+,35-29+
InChIKeySBKZGBYUTPXFDW-FFUAXAOHSA-N
XLogP6.60
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.62
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-9-methyl-N-[3-[(E)-(9-methyl-2,3-dihydro-1H-acridin-4-ylidene)amino]oxypropoxy]-2,3-dihydro-1H-acridin-4-imine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (E)-9-methyl-N-[3-[(E)-(9-methyl-2,3-dihydro-1H-acridin-4-ylidene)amino]oxypropoxy]-2,3-dihydro-1H-acridin-4-imine?
The IUPAC name of (E)-9-methyl-N-[3-[(E)-(9-methyl-2,3-dihydro-1H-acridin-4-ylidene)amino]oxypropoxy]-2,3-dihydro-1H-acridin-4-imine (CID 88583620) is (E)-9-methyl-N-[3-[(E)-(9-methyl-2,3-dihydro-1H-acridin-4-ylidene)amino]oxypropoxy]-2,3-dihydro-1H-acridin-4-imine.
What is the SMILES notation for (E)-9-methyl-N-[3-[(E)-(9-methyl-2,3-dihydro-1H-acridin-4-ylidene)amino]oxypropoxy]-2,3-dihydro-1H-acridin-4-imine?
The canonical SMILES for (E)-9-methyl-N-[3-[(E)-(9-methyl-2,3-dihydro-1H-acridin-4-ylidene)amino]oxypropoxy]-2,3-dihydro-1H-acridin-4-imine is Cc1c2c(nc3ccccc13)/C(=N/OCCCO/N=C1\CCCc3c1nc1ccccc1c3C)CCC2.
What is the InChIKey of (E)-9-methyl-N-[3-[(E)-(9-methyl-2,3-dihydro-1H-acridin-4-ylidene)amino]oxypropoxy]-2,3-dihydro-1H-acridin-4-imine?
The InChIKey is SBKZGBYUTPXFDW-FFUAXAOHSA-N. The full InChI is InChI=1S/C31H32N4O2/c1-20-22-10-3-5-14-26(22)32-30-24(20)12-7-16-28(30)34-36-18-9-19-37-35-29-17-8-13-25-21(2)23-11-4-6-15-27(23)33-31(25)29/h3-6,10-11,14-15H,7-9,12-13,16-19H2,1-2H3/b34-28+,35-29+.
What are the key properties of (E)-9-methyl-N-[3-[(E)-(9-methyl-2,3-dihydro-1H-acridin-4-ylidene)amino]oxypropoxy]-2,3-dihydro-1H-acridin-4-imine?
(E)-9-methyl-N-[3-[(E)-(9-methyl-2,3-dihydro-1H-acridin-4-ylidene)amino]oxypropoxy]-2,3-dihydro-1H-acridin-4-imine has a molecular weight of 492.62 g/mol, XLogP of 6.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-9-methyl-N-[3-[(E)-(9-methyl-2,3-dihydro-1H-acridin-4-ylidene)amino]oxypropoxy]-2,3-dihydro-1H-acridin-4-imine is sourced from PubChem (CID 88583620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).