1-methyl-N-[3-[methyl-[3-[(1-methylacridine-4-carbonyl)amino]propyl]amino]propyl]acridine-4-carboxamide

C37H37N5O2 — CID 10603395

IUPAC1-methyl-N-[3-[methyl-[3-[(1-methylacridine-4-carbonyl)amino]propyl]amino]propyl]acridine-4-carboxamide
SMILESCc1ccc(C(=O)NCCCN(C)CCCNC(=O)c2ccc(C)c3cc4ccccc4nc23)c2nc3ccccc3cc12
InChIInChI=1S/C37H37N5O2/c1-24-14-16-28(34-30(24)22-26-10-4-6-12-32(26)40-34)36(43)38-18-8-20-42(3)21-9-19-39-37(44)29-17-15-25(2)31-23-27-11-5-7-13-33(27)41-35(29)31/h4-7,10-17,22-23H,8-9,18-21H2,1-3H3,(H,38,43)(H,39,44)
InChIKeyLBMMYLIWXBSZJB-UHFFFAOYSA-N
MW583.74 g/mol
LogP6.58
Rot. Bonds10

About 1-methyl-N-[3-[methyl-[3-[(1-methylacridine-4-carbonyl)amino]propyl]amino]propyl]acridine-4-carboxamide

1-methyl-N-[3-[methyl-[3-[(1-methylacridine-4-carbonyl)amino]propyl]amino]propyl]acridine-4-carboxamide (PubChem CID 10603395) has the molecular formula C37H37N5O2 and a molecular weight of 583.74 g/mol. Its IUPAC name is 1-methyl-N-[3-[methyl-[3-[(1-methylacridine-4-carbonyl)amino]propyl]amino]propyl]acridine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[3-[methyl-[3-[(1-methylacridine-4-carbonyl)amino]propyl]amino]propyl]acridine-4-carboxamide
PubChem CID10603395
Molecular FormulaC37H37N5O2
Molecular Weight583.74 g/mol
Exact Mass583.29
IUPAC Name1-methyl-N-[3-[methyl-[3-[(1-methylacridine-4-carbonyl)amino]propyl]amino]propyl]acridine-4-carboxamide
SMILESCc1ccc(C(=O)NCCCN(C)CCCNC(=O)c2ccc(C)c3cc4ccccc4nc23)c2nc3ccccc3cc12
InChIInChI=1S/C37H37N5O2/c1-24-14-16-28(34-30(24)22-26-10-4-6-12-32(26)40-34)36(43)38-18-8-20-42(3)21-9-19-39-37(44)29-17-15-25(2)31-23-27-11-5-7-13-33(27)41-35(29)31/h4-7,10-17,22-23H,8-9,18-21H2,1-3H3,(H,38,43)(H,39,44)
InChIKeyLBMMYLIWXBSZJB-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 1-methyl-N-[3-[methyl-[3-[(1-methylacridine-4-carbonyl)amino]propyl]amino]propyl]acridine-4-carboxamide?
The IUPAC name of 1-methyl-N-[3-[methyl-[3-[(1-methylacridine-4-carbonyl)amino]propyl]amino]propyl]acridine-4-carboxamide (CID 10603395) is 1-methyl-N-[3-[methyl-[3-[(1-methylacridine-4-carbonyl)amino]propyl]amino]propyl]acridine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[3-[methyl-[3-[(1-methylacridine-4-carbonyl)amino]propyl]amino]propyl]acridine-4-carboxamide?
The canonical SMILES for 1-methyl-N-[3-[methyl-[3-[(1-methylacridine-4-carbonyl)amino]propyl]amino]propyl]acridine-4-carboxamide is Cc1ccc(C(=O)NCCCN(C)CCCNC(=O)c2ccc(C)c3cc4ccccc4nc23)c2nc3ccccc3cc12.
What is the InChIKey of 1-methyl-N-[3-[methyl-[3-[(1-methylacridine-4-carbonyl)amino]propyl]amino]propyl]acridine-4-carboxamide?
The InChIKey is LBMMYLIWXBSZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37N5O2/c1-24-14-16-28(34-30(24)22-26-10-4-6-12-32(26)40-34)36(43)38-18-8-20-42(3)21-9-19-39-37(44)29-17-15-25(2)31-23-27-11-5-7-13-33(27)41-35(29)31/h4-7,10-17,22-23H,8-9,18-21H2,1-3H3,(H,38,43)(H,39,44).
What are the key properties of 1-methyl-N-[3-[methyl-[3-[(1-methylacridine-4-carbonyl)amino]propyl]amino]propyl]acridine-4-carboxamide?
1-methyl-N-[3-[methyl-[3-[(1-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 1-methyl-N-[3-[methyl-[3-[(1-methylacridine-4-carbonyl)amino]propyl]amino]propyl]acridine-4-carboxamide is sourced from PubChem (CID 10603395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).