N-[3-[3-[(1,5-dimethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-1,5-dimethylacridine-4-carboxamide

C39H41N5O2 — CID 10627576

IUPACN-[3-[3-[(1,5-dimethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-1,5-dimethylacridine-4-carboxamide
SMILESCc1ccc(C(=O)NCCCN(C)CCCNC(=O)c2ccc(C)c3cc4cccc(C)c4nc23)c2nc3c(C)cccc3cc12
InChIInChI=1S/C39H41N5O2/c1-24-14-16-30(36-32(24)22-28-12-6-10-26(3)34(28)42-36)38(45)40-18-8-20-44(5)21-9-19-41-39(46)31-17-15-25(2)33-23-29-13-7-11-27(4)35(29)43-37(31)33/h6-7,10-17,22-23H,8-9,18-21H2,1-5H3,(H,40,45)(H,41,46)
InChIKeyQILJHQDEWQGQAX-UHFFFAOYSA-N
MW611.79 g/mol
LogP7.19
Rot. Bonds10

About N-[3-[3-[(1,5-dimethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-1,5-dimethylacridine-4-carboxamide

N-[3-[3-[(1,5-dimethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-1,5-dimethylacridine-4-carboxamide (PubChem CID 10627576) has the molecular formula C39H41N5O2 and a molecular weight of 611.79 g/mol. Its IUPAC name is N-[3-[3-[(1,5-dimethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-1,5-dimethylacridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[3-[(1,5-dimethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-1,5-dimethylacridine-4-carboxamide
PubChem CID10627576
Molecular FormulaC39H41N5O2
Molecular Weight611.79 g/mol
Exact Mass611.33
IUPAC NameN-[3-[3-[(1,5-dimethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-1,5-dimethylacridine-4-carboxamide
SMILESCc1ccc(C(=O)NCCCN(C)CCCNC(=O)c2ccc(C)c3cc4cccc(C)c4nc23)c2nc3c(C)cccc3cc12
InChIInChI=1S/C39H41N5O2/c1-24-14-16-30(36-32(24)22-28-12-6-10-26(3)34(28)42-36)38(45)40-18-8-20-44(5)21-9-19-41-39(46)31-17-15-25(2)33-23-29-13-7-11-27(4)35(29)43-37(31)33/h6-7,10-17,22-23H,8-9,18-21H2,1-5H3,(H,40,45)(H,41,46)
InChIKeyQILJHQDEWQGQAX-UHFFFAOYSA-N
XLogP7.19
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.79
LogP ≤ 57.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-[3-[3-[(1,5-dimethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-1,5-dimethylacridine-4-carboxamide?
The IUPAC name of N-[3-[3-[(1,5-dimethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-1,5-dimethylacridine-4-carboxamide (CID 10627576) is N-[3-[3-[(1,5-dimethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-1,5-dimethylacridine-4-carboxamide.
What is the SMILES notation for N-[3-[3-[(1,5-dimethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-1,5-dimethylacridine-4-carboxamide?
The canonical SMILES for N-[3-[3-[(1,5-dimethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-1,5-dimethylacridine-4-carboxamide is Cc1ccc(C(=O)NCCCN(C)CCCNC(=O)c2ccc(C)c3cc4cccc(C)c4nc23)c2nc3c(C)cccc3cc12.
What is the InChIKey of N-[3-[3-[(1,5-dimethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-1,5-dimethylacridine-4-carboxamide?
The InChIKey is QILJHQDEWQGQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H41N5O2/c1-24-14-16-30(36-32(24)22-28-12-6-10-26(3)34(28)42-36)38(45)40-18-8-20-44(5)21-9-19-41-39(46)31-17-15-25(2)33-23-29-13-7-11-27(4)35(29)43-37(31)33/h6-7,10-17,22-23H,8-9,18-21H2,1-5H3,(H,40,45)(H,41,46).
What are the key properties of N-[3-[3-[(1,5-dimethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-1,5-dimethylacridine-4-carboxamide?
N-[3-[3-[(1,5-dimethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-1,5-dimethylacridine-4-carboxamide has a molecular weight of 611.79 g/mol, XLogP of 7.19, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[(1,5-dimethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-1,5-dimethylacridine-4-carboxamide is sourced from PubChem (CID 10627576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).