7-methyl-N-[3-[methyl-[3-[(7-methylacridine-4-carbonyl)amino]propyl]amino]propyl]acridine-4-carboxamide

C37H37N5O2 — CID 10507530

IUPAC7-methyl-N-[3-[methyl-[3-[(7-methylacridine-4-carbonyl)amino]propyl]amino]propyl]acridine-4-carboxamide
SMILESCc1ccc2nc3c(C(=O)NCCCN(C)CCCNC(=O)c4cccc5cc6cc(C)ccc6nc45)cccc3cc2c1
InChIInChI=1S/C37H37N5O2/c1-24-12-14-32-28(20-24)22-26-8-4-10-30(34(26)40-32)36(43)38-16-6-18-42(3)19-7-17-39-37(44)31-11-5-9-27-23-29-21-25(2)13-15-33(29)41-35(27)31/h4-5,8-15,20-23H,6-7,16-19H2,1-3H3,(H,38,43)(H,39,44)
InChIKeyGGAAVEZRMDCASY-UHFFFAOYSA-N
MW583.74 g/mol
LogP6.58
Rot. Bonds10

About 7-methyl-N-[3-[methyl-[3-[(7-methylacridine-4-carbonyl)amino]propyl]amino]propyl]acridine-4-carboxamide

7-methyl-N-[3-[methyl-[3-[(7-methylacridine-4-carbonyl)amino]propyl]amino]propyl]acridine-4-carboxamide (PubChem CID 10507530) has the molecular formula C37H37N5O2 and a molecular weight of 583.74 g/mol. Its IUPAC name is 7-methyl-N-[3-[methyl-[3-[(7-methylacridine-4-carbonyl)amino]propyl]amino]propyl]acridine-4-carboxamide.

Molecular Properties

Compound Name7-methyl-N-[3-[methyl-[3-[(7-methylacridine-4-carbonyl)amino]propyl]amino]propyl]acridine-4-carboxamide
PubChem CID10507530
Molecular FormulaC37H37N5O2
Molecular Weight583.74 g/mol
Exact Mass583.29
IUPAC Name7-methyl-N-[3-[methyl-[3-[(7-methylacridine-4-carbonyl)amino]propyl]amino]propyl]acridine-4-carboxamide
SMILESCc1ccc2nc3c(C(=O)NCCCN(C)CCCNC(=O)c4cccc5cc6cc(C)ccc6nc45)cccc3cc2c1
InChIInChI=1S/C37H37N5O2/c1-24-12-14-32-28(20-24)22-26-8-4-10-30(34(26)40-32)36(43)38-16-6-18-42(3)19-7-17-39-37(44)31-11-5-9-27-23-29-21-25(2)13-15-33(29)41-35(27)31/h4-5,8-15,20-23H,6-7,16-19H2,1-3H3,(H,38,43)(H,39,44)
InChIKeyGGAAVEZRMDCASY-UHFFFAOYSA-N
XLogP6.58
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.74
LogP ≤ 56.58
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 7-methyl-N-[3-[methyl-[3-[(7-methylacridine-4-carbonyl)amino]propyl]amino]propyl]acridine-4-carboxamide?
The IUPAC name of 7-methyl-N-[3-[methyl-[3-[(7-methylacridine-4-carbonyl)amino]propyl]amino]propyl]acridine-4-carboxamide (CID 10507530) is 7-methyl-N-[3-[methyl-[3-[(7-methylacridine-4-carbonyl)amino]propyl]amino]propyl]acridine-4-carboxamide.
What is the SMILES notation for 7-methyl-N-[3-[methyl-[3-[(7-methylacridine-4-carbonyl)amino]propyl]amino]propyl]acridine-4-carboxamide?
The canonical SMILES for 7-methyl-N-[3-[methyl-[3-[(7-methylacridine-4-carbonyl)amino]propyl]amino]propyl]acridine-4-carboxamide is Cc1ccc2nc3c(C(=O)NCCCN(C)CCCNC(=O)c4cccc5cc6cc(C)ccc6nc45)cccc3cc2c1.
What is the InChIKey of 7-methyl-N-[3-[methyl-[3-[(7-methylacridine-4-carbonyl)amino]propyl]amino]propyl]acridine-4-carboxamide?
The InChIKey is GGAAVEZRMDCASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37N5O2/c1-24-12-14-32-28(20-24)22-26-8-4-10-30(34(26)40-32)36(43)38-16-6-18-42(3)19-7-17-39-37(44)31-11-5-9-27-23-29-21-25(2)13-15-33(29)41-35(27)31/h4-5,8-15,20-23H,6-7,16-19H2,1-3H3,(H,38,43)(H,39,44).
What are the key properties of 7-methyl-N-[3-[methyl-[3-[(7-methylacridine-4-carbonyl)amino]propyl]amino]propyl]acridine-4-carboxamide?
7-methyl-N-[3-[methyl-[3-[(7-methylacridine-4-carbonyl)amino]propyl]amino]propyl]acridine-4-carboxamide has a molecular weight of 583.74 g/mol, XLogP of 6.58, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[3-[methyl-[3-[(7-methylacridine-4-carbonyl)amino]propyl]amino]propyl]acridine-4-carboxamide is sourced from PubChem (CID 10507530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).