6-methoxy-N-[3-[3-[(6-methoxyacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide

C37H37N5O4 — CID 10508048

IUPAC6-methoxy-N-[3-[3-[(6-methoxyacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide
SMILESCOc1ccc2cc3cccc(C(=O)NCCCN(C)CCCNC(=O)c4cccc5cc6ccc(OC)cc6nc45)c3nc2c1
InChIInChI=1S/C37H37N5O4/c1-42(18-6-16-38-36(43)30-10-4-8-26-20-24-12-14-28(45-2)22-32(24)40-34(26)30)19-7-17-39-37(44)31-11-5-9-27-21-25-13-15-29(46-3)23-33(25)41-35(27)31/h4-5,8-15,20-23H,6-7,16-19H2,1-3H3,(H,38,43)(H,39,44)
InChIKeyCAIAVAAPTLUBLK-UHFFFAOYSA-N
MW615.73 g/mol
LogP5.98
Rot. Bonds12

About 6-methoxy-N-[3-[3-[(6-methoxyacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide

6-methoxy-N-[3-[3-[(6-methoxyacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide (PubChem CID 10508048) has the molecular formula C37H37N5O4 and a molecular weight of 615.73 g/mol. Its IUPAC name is 6-methoxy-N-[3-[3-[(6-methoxyacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[3-[3-[(6-methoxyacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide
PubChem CID10508048
Molecular FormulaC37H37N5O4
Molecular Weight615.73 g/mol
Exact Mass615.28
IUPAC Name6-methoxy-N-[3-[3-[(6-methoxyacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide
SMILESCOc1ccc2cc3cccc(C(=O)NCCCN(C)CCCNC(=O)c4cccc5cc6ccc(OC)cc6nc45)c3nc2c1
InChIInChI=1S/C37H37N5O4/c1-42(18-6-16-38-36(43)30-10-4-8-26-20-24-12-14-28(45-2)22-32(24)40-34(26)30)19-7-17-39-37(44)31-11-5-9-27-21-25-13-15-29(46-3)23-33(25)41-35(27)31/h4-5,8-15,20-23H,6-7,16-19H2,1-3H3,(H,38,43)(H,39,44)
InChIKeyCAIAVAAPTLUBLK-UHFFFAOYSA-N
XLogP5.98
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.73
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(4-(2-(hydroxyamino)-2-oxoethyl)piperidin-4-yl)-4-((2-methylquinolin-4-yl)methoxy)benzamide
CID 10160968
4-[(3-Methoxyphenyl)amino]-2-Phenyl-7,8-Dihydro-1,6-Naphthyridin-5(6h)-One
CID 53493858
4-methoxy-N-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]benzamide
CID 49850566
3-[3-[4-(3-methoxyanilino)-5-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide
CID 53493993
4-[3-[4-(3-methoxyanilino)-5-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzoic acid
CID 53493994
N-[2-(dimethylamino)ethyl]-3-[3-[4-(3-methoxyanilino)-5-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide
CID 53493995
N-cyclopropyl-3-[3-[4-(3-methoxyanilino)-5-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide
CID 53494537
4-methoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide
CID 4915921
2-(4-Methoxyphenyl)quinoline-8-carboxamide
CID 25209058
4-Acridinecarboxamide, 9-amino-N-(2-(dimethylamino)ethyl)-1-methoxy-
CID 150543
N,N'-bis(3-methoxyacridin-9-yl)hexane-1,6-diamine
CID 319095
N-(1-ethyl-4-(2-(hydroxyamino)-2-oxoethyl)piperidin-4-yl)-4-((2-methylquinolin-4-yl)methoxy)benzamide
CID 10140438

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[3-[3-[(6-methoxyacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide?
The IUPAC name of 6-methoxy-N-[3-[3-[(6-methoxyacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide (CID 10508048) is 6-methoxy-N-[3-[3-[(6-methoxyacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide.
What is the SMILES notation for 6-methoxy-N-[3-[3-[(6-methoxyacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide?
The canonical SMILES for 6-methoxy-N-[3-[3-[(6-methoxyacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide is COc1ccc2cc3cccc(C(=O)NCCCN(C)CCCNC(=O)c4cccc5cc6ccc(OC)cc6nc45)c3nc2c1.
What is the InChIKey of 6-methoxy-N-[3-[3-[(6-methoxyacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide?
The InChIKey is CAIAVAAPTLUBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37N5O4/c1-42(18-6-16-38-36(43)30-10-4-8-26-20-24-12-14-28(45-2)22-32(24)40-34(26)30)19-7-17-39-37(44)31-11-5-9-27-21-25-13-15-29(46-3)23-33(25)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 6-methoxy-N-[3-[3-[(6-methoxyacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide?
6-methoxy-N-[3-[3-[(6-methoxyacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide has a molecular weight of 615.73 g/mol, XLogP of 5.98, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[3-[3-[(6-methoxyacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide is sourced from PubChem (CID 10508048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).