N-[3-[3-[(5,8-dimethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5,8-dimethylacridine-4-carboxamide

C39H41N5O2 — CID 10603794

IUPACN-[3-[3-[(5,8-dimethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5,8-dimethylacridine-4-carboxamide
SMILESCc1ccc(C)c2nc3c(C(=O)NCCCN(C)CCCNC(=O)c4cccc5cc6c(C)ccc(C)c6nc45)cccc3cc12
InChIInChI=1S/C39H41N5O2/c1-24-14-16-26(3)34-32(24)22-28-10-6-12-30(36(28)42-34)38(45)40-18-8-20-44(5)21-9-19-41-39(46)31-13-7-11-29-23-33-25(2)15-17-27(4)35(33)43-37(29)31/h6-7,10-17,22-23H,8-9,18-21H2,1-5H3,(H,40,45)(H,41,46)
InChIKeyIXEFHGDOTWLAQQ-UHFFFAOYSA-N
MW611.79 g/mol
LogP7.19
Rot. Bonds10

About N-[3-[3-[(5,8-dimethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5,8-dimethylacridine-4-carboxamide

N-[3-[3-[(5,8-dimethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5,8-dimethylacridine-4-carboxamide (PubChem CID 10603794) has the molecular formula C39H41N5O2 and a molecular weight of 611.79 g/mol. Its IUPAC name is N-[3-[3-[(5,8-dimethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5,8-dimethylacridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[3-[(5,8-dimethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5,8-dimethylacridine-4-carboxamide
PubChem CID10603794
Molecular FormulaC39H41N5O2
Molecular Weight611.79 g/mol
Exact Mass611.33
IUPAC NameN-[3-[3-[(5,8-dimethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5,8-dimethylacridine-4-carboxamide
SMILESCc1ccc(C)c2nc3c(C(=O)NCCCN(C)CCCNC(=O)c4cccc5cc6c(C)ccc(C)c6nc45)cccc3cc12
InChIInChI=1S/C39H41N5O2/c1-24-14-16-26(3)34-32(24)22-28-10-6-12-30(36(28)42-34)38(45)40-18-8-20-44(5)21-9-19-41-39(46)31-13-7-11-29-23-33-25(2)15-17-27(4)35(33)43-37(29)31/h6-7,10-17,22-23H,8-9,18-21H2,1-5H3,(H,40,45)(H,41,46)
InChIKeyIXEFHGDOTWLAQQ-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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Related Compounds

N-[3-[3-aminopropyl(methyl)amino]propyl]-5-methylacridine-4-carboxamide
CID 89338534
8-(chloromethyl)-N-[3-[3-[[8-(chloromethyl)acridine-4-carbonyl]amino]propyl-methylamino]propyl]acridine-4-carboxamide
CID 54093592
9-chloro-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide
CID 10593362
N-(4-hydroxybutyl)acridine-4-carboxamide
CID 11033729
N-[2-(dimethylamino)ethyl]-6,7-dimethylacridine-4-carboxamide
CID 54432311
N-[2-(dimethylamino)ethyl]-5-phenylacridine-4-carboxamide
CID 10690459
N-[2-(dimethylamino)ethyl]-[1]benzofuro[2,3-b]quinoline-7-carboxamide
CID 10640396
N-[2-(dimethylamino)ethyl]-6,9-dimethyl-[1]benzothiolo[3,2-b]quinoline-4-carboxamide
CID 101079695
1,5-dimethylacridine-4-carboxylic acid
CID 10634490
N-[2-(diethylamino)ethyl]-1-methylacridine-4-carboxamide
CID 59228677
N-[2-[3-[2-[[amino-(9-methylphenazin-1-yl)methylidene]amino]ethyl-methylamino]propyl-methylamino]ethyl]-9-methylphenazine-1-carboxamide
CID 163495440
N-[3-[3-benzamidopropyl(methyl)amino]propyl]benzamide
CID 67474503

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[(5,8-dimethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5,8-dimethylacridine-4-carboxamide?
The IUPAC name of N-[3-[3-[(5,8-dimethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5,8-dimethylacridine-4-carboxamide (CID 10603794) is N-[3-[3-[(5,8-dimethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5,8-dimethylacridine-4-carboxamide.
What is the SMILES notation for N-[3-[3-[(5,8-dimethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5,8-dimethylacridine-4-carboxamide?
The canonical SMILES for N-[3-[3-[(5,8-dimethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5,8-dimethylacridine-4-carboxamide is Cc1ccc(C)c2nc3c(C(=O)NCCCN(C)CCCNC(=O)c4cccc5cc6c(C)ccc(C)c6nc45)cccc3cc12.
What is the InChIKey of N-[3-[3-[(5,8-dimethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5,8-dimethylacridine-4-carboxamide?
The InChIKey is IXEFHGDOTWLAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H41N5O2/c1-24-14-16-26(3)34-32(24)22-28-10-6-12-30(36(28)42-34)38(45)40-18-8-20-44(5)21-9-19-41-39(46)31-13-7-11-29-23-33-25(2)15-17-27(4)35(33)43-37(29)31/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-[(5,8-dimethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5,8-dimethylacridine-4-carboxamide?
N-[3-[3-[(5,8-dimethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5,8-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-[(5,8-dimethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5,8-dimethylacridine-4-carboxamide is sourced from PubChem (CID 10603794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).