7-ethyl-N-[3-[3-[(7-ethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide

C39H41N5O2 — CID 10579635

IUPAC7-ethyl-N-[3-[3-[(7-ethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide
SMILESCCc1ccc2nc3c(C(=O)NCCCN(C)CCCNC(=O)c4cccc5cc6cc(CC)ccc6nc45)cccc3cc2c1
InChIInChI=1S/C39H41N5O2/c1-4-26-14-16-34-30(22-26)24-28-10-6-12-32(36(28)42-34)38(45)40-18-8-20-44(3)21-9-19-41-39(46)33-13-7-11-29-25-31-23-27(5-2)15-17-35(31)43-37(29)33/h6-7,10-17,22-25H,4-5,8-9,18-21H2,1-3H3,(H,40,45)(H,41,46)
InChIKeyCARJYXRYWBXHOH-UHFFFAOYSA-N
MW611.79 g/mol
LogP7.09
Rot. Bonds12

About 7-ethyl-N-[3-[3-[(7-ethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide

7-ethyl-N-[3-[3-[(7-ethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide (PubChem CID 10579635) has the molecular formula C39H41N5O2 and a molecular weight of 611.79 g/mol. Its IUPAC name is 7-ethyl-N-[3-[3-[(7-ethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide.

Molecular Properties

Compound Name7-ethyl-N-[3-[3-[(7-ethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide
PubChem CID10579635
Molecular FormulaC39H41N5O2
Molecular Weight611.79 g/mol
Exact Mass611.33
IUPAC Name7-ethyl-N-[3-[3-[(7-ethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide
SMILESCCc1ccc2nc3c(C(=O)NCCCN(C)CCCNC(=O)c4cccc5cc6cc(CC)ccc6nc45)cccc3cc2c1
InChIInChI=1S/C39H41N5O2/c1-4-26-14-16-34-30(22-26)24-28-10-6-12-32(36(28)42-34)38(45)40-18-8-20-44(3)21-9-19-41-39(46)33-13-7-11-29-25-31-23-27(5-2)15-17-35(31)43-37(29)33/h6-7,10-17,22-25H,4-5,8-9,18-21H2,1-3H3,(H,40,45)(H,41,46)
InChIKeyCARJYXRYWBXHOH-UHFFFAOYSA-N
XLogP7.09
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.79
LogP ≤ 57.09
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-ethyl-N-[3-[3-[(7-ethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide?
The IUPAC name of 7-ethyl-N-[3-[3-[(7-ethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide (CID 10579635) is 7-ethyl-N-[3-[3-[(7-ethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide.
What is the SMILES notation for 7-ethyl-N-[3-[3-[(7-ethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide?
The canonical SMILES for 7-ethyl-N-[3-[3-[(7-ethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide is CCc1ccc2nc3c(C(=O)NCCCN(C)CCCNC(=O)c4cccc5cc6cc(CC)ccc6nc45)cccc3cc2c1.
What is the InChIKey of 7-ethyl-N-[3-[3-[(7-ethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide?
The InChIKey is CARJYXRYWBXHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H41N5O2/c1-4-26-14-16-34-30(22-26)24-28-10-6-12-32(36(28)42-34)38(45)40-18-8-20-44(3)21-9-19-41-39(46)33-13-7-11-29-25-31-23-27(5-2)15-17-35(31)43-37(29)33/h6-7,10-17,22-25H,4-5,8-9,18-21H2,1-3H3,(H,40,45)(H,41,46).
What are the key properties of 7-ethyl-N-[3-[3-[(7-ethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide?
7-ethyl-N-[3-[3-[(7-ethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide has a molecular weight of 611.79 g/mol, XLogP of 7.09, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-N-[3-[3-[(7-ethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide is sourced from PubChem (CID 10579635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).