8-methyl-N-[3-[methyl-[3-[(8-methylacridine-4-carbonyl)amino]propyl]amino]propyl]acridine-4-carboxamide

C37H37N5O2 — CID 10603394

IUPAC8-methyl-N-[3-[methyl-[3-[(8-methylacridine-4-carbonyl)amino]propyl]amino]propyl]acridine-4-carboxamide
SMILESCc1cccc2nc3c(C(=O)NCCCN(C)CCCNC(=O)c4cccc5cc6c(C)cccc6nc45)cccc3cc12
InChIInChI=1S/C37H37N5O2/c1-24-10-4-16-32-30(24)22-26-12-6-14-28(34(26)40-32)36(43)38-18-8-20-42(3)21-9-19-39-37(44)29-15-7-13-27-23-31-25(2)11-5-17-33(31)41-35(27)29/h4-7,10-17,22-23H,8-9,18-21H2,1-3H3,(H,38,43)(H,39,44)
InChIKeyPBXHVUVLLHRDTJ-UHFFFAOYSA-N
MW583.74 g/mol
LogP6.58
Rot. Bonds10

About 8-methyl-N-[3-[methyl-[3-[(8-methylacridine-4-carbonyl)amino]propyl]amino]propyl]acridine-4-carboxamide

8-methyl-N-[3-[methyl-[3-[(8-methylacridine-4-carbonyl)amino]propyl]amino]propyl]acridine-4-carboxamide (PubChem CID 10603394) has the molecular formula C37H37N5O2 and a molecular weight of 583.74 g/mol. Its IUPAC name is 8-methyl-N-[3-[methyl-[3-[(8-methylacridine-4-carbonyl)amino]propyl]amino]propyl]acridine-4-carboxamide.

Molecular Properties

Compound Name8-methyl-N-[3-[methyl-[3-[(8-methylacridine-4-carbonyl)amino]propyl]amino]propyl]acridine-4-carboxamide
PubChem CID10603394
Molecular FormulaC37H37N5O2
Molecular Weight583.74 g/mol
Exact Mass583.29
IUPAC Name8-methyl-N-[3-[methyl-[3-[(8-methylacridine-4-carbonyl)amino]propyl]amino]propyl]acridine-4-carboxamide
SMILESCc1cccc2nc3c(C(=O)NCCCN(C)CCCNC(=O)c4cccc5cc6c(C)cccc6nc45)cccc3cc12
InChIInChI=1S/C37H37N5O2/c1-24-10-4-16-32-30(24)22-26-12-6-14-28(34(26)40-32)36(43)38-18-8-20-42(3)21-9-19-39-37(44)29-15-7-13-27-23-31-25(2)11-5-17-33(31)41-35(27)29/h4-7,10-17,22-23H,8-9,18-21H2,1-3H3,(H,38,43)(H,39,44)
InChIKeyPBXHVUVLLHRDTJ-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 8-methyl-N-[3-[methyl-[3-[(8-methylacridine-4-carbonyl)amino]propyl]amino]propyl]acridine-4-carboxamide?
The IUPAC name of 8-methyl-N-[3-[methyl-[3-[(8-methylacridine-4-carbonyl)amino]propyl]amino]propyl]acridine-4-carboxamide (CID 10603394) is 8-methyl-N-[3-[methyl-[3-[(8-methylacridine-4-carbonyl)amino]propyl]amino]propyl]acridine-4-carboxamide.
What is the SMILES notation for 8-methyl-N-[3-[methyl-[3-[(8-methylacridine-4-carbonyl)amino]propyl]amino]propyl]acridine-4-carboxamide?
The canonical SMILES for 8-methyl-N-[3-[methyl-[3-[(8-methylacridine-4-carbonyl)amino]propyl]amino]propyl]acridine-4-carboxamide is Cc1cccc2nc3c(C(=O)NCCCN(C)CCCNC(=O)c4cccc5cc6c(C)cccc6nc45)cccc3cc12.
What is the InChIKey of 8-methyl-N-[3-[methyl-[3-[(8-methylacridine-4-carbonyl)amino]propyl]amino]propyl]acridine-4-carboxamide?
The InChIKey is PBXHVUVLLHRDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37N5O2/c1-24-10-4-16-32-30(24)22-26-12-6-14-28(34(26)40-32)36(43)38-18-8-20-42(3)21-9-19-39-37(44)29-15-7-13-27-23-31-25(2)11-5-17-33(31)41-35(27)29/h4-7,10-17,22-23H,8-9,18-21H2,1-3H3,(H,38,43)(H,39,44).
What are the key properties of 8-methyl-N-[3-[methyl-[3-[(8-methylacridine-4-carbonyl)amino]propyl]amino]propyl]acridine-4-carboxamide?
8-methyl-N-[3-[methyl-[3-[(8-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 8-methyl-N-[3-[methyl-[3-[(8-methylacridine-4-carbonyl)amino]propyl]amino]propyl]acridine-4-carboxamide is sourced from PubChem (CID 10603394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).