N,N'-bis(3-methoxyacridin-9-yl)decane-1,10-diamine;hydrochloride

C38H43ClN4O2 — CID 54607389

IUPACN,N'-bis(3-methoxyacridin-9-yl)decane-1,10-diamine;hydrochloride
SMILESCOc1ccc2c(NCCCCCCCCCCNc3c4ccccc4nc4cc(OC)ccc34)c3ccccc3nc2c1.Cl
InChIInChI=1S/C38H42N4O2.ClH/c1-43-27-19-21-31-35(25-27)41-33-17-11-9-15-29(33)37(31)39-23-13-7-5-3-4-6-8-14-24-40-38-30-16-10-12-18-34(30)42-36-26-28(44-2)20-22-32(36)38;/h9-12,15-22,25-26H,3-8,13-14,23-24H2,1-2H3,(H,39,41)(H,40,42);1H
InChIKeyUULWYODSFBUABU-UHFFFAOYSA-N
MW623.24 g/mol
LogP10.17
Rot. Bonds15

About N,N'-bis(3-methoxyacridin-9-yl)decane-1,10-diamine;hydrochloride

N,N'-bis(3-methoxyacridin-9-yl)decane-1,10-diamine;hydrochloride (PubChem CID 54607389) has the molecular formula C38H43ClN4O2 and a molecular weight of 623.24 g/mol. Its IUPAC name is N,N'-bis(3-methoxyacridin-9-yl)decane-1,10-diamine;hydrochloride.

Molecular Properties

Compound NameN,N'-bis(3-methoxyacridin-9-yl)decane-1,10-diamine;hydrochloride
PubChem CID54607389
Molecular FormulaC38H43ClN4O2
Molecular Weight623.24 g/mol
Exact Mass622.31
IUPAC NameN,N'-bis(3-methoxyacridin-9-yl)decane-1,10-diamine;hydrochloride
SMILESCOc1ccc2c(NCCCCCCCCCCNc3c4ccccc4nc4cc(OC)ccc34)c3ccccc3nc2c1.Cl
InChIInChI=1S/C38H42N4O2.ClH/c1-43-27-19-21-31-35(25-27)41-33-17-11-9-15-29(33)37(31)39-23-13-7-5-3-4-6-8-14-24-40-38-30-16-10-12-18-34(30)42-36-26-28(44-2)20-22-32(36)38;/h9-12,15-22,25-26H,3-8,13-14,23-24H2,1-2H3,(H,39,41)(H,40,42);1H
InChIKeyUULWYODSFBUABU-UHFFFAOYSA-N
XLogP10.17
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.24
LogP ≤ 510.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(3-methoxyacridin-9-yl)decane-1,10-diamine;hydrochloride?
The IUPAC name of N,N'-bis(3-methoxyacridin-9-yl)decane-1,10-diamine;hydrochloride (CID 54607389) is N,N'-bis(3-methoxyacridin-9-yl)decane-1,10-diamine;hydrochloride.
What is the SMILES notation for N,N'-bis(3-methoxyacridin-9-yl)decane-1,10-diamine;hydrochloride?
The canonical SMILES for N,N'-bis(3-methoxyacridin-9-yl)decane-1,10-diamine;hydrochloride is COc1ccc2c(NCCCCCCCCCCNc3c4ccccc4nc4cc(OC)ccc34)c3ccccc3nc2c1.Cl.
What is the InChIKey of N,N'-bis(3-methoxyacridin-9-yl)decane-1,10-diamine;hydrochloride?
The InChIKey is UULWYODSFBUABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H42N4O2.ClH/c1-43-27-19-21-31-35(25-27)41-33-17-11-9-15-29(33)37(31)39-23-13-7-5-3-4-6-8-14-24-40-38-30-16-10-12-18-34(30)42-36-26-28(44-2)20-22-32(36)38;/h9-12,15-22,25-26H,3-8,13-14,23-24H2,1-2H3,(H,39,41)(H,40,42);1H.
What are the key properties of N,N'-bis(3-methoxyacridin-9-yl)decane-1,10-diamine;hydrochloride?
N,N'-bis(3-methoxyacridin-9-yl)decane-1,10-diamine;hydrochloride has a molecular weight of 623.24 g/mol, XLogP of 10.17, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(3-methoxyacridin-9-yl)decane-1,10-diamine;hydrochloride is sourced from PubChem (CID 54607389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).