N-[2-(dimethylamino)ethyl]-1-[2-[2-[[2-[2-(dimethylamino)ethylcarbamoyl]-7-methoxy-9-oxo-10H-acridin-1-yl]amino]ethyl-methylamino]ethylamino]-7-methoxy-9-oxo-10H-acridine-2-carboxamide

C43H53N9O6 — CID 139892437

IUPACN-[2-(dimethylamino)ethyl]-1-[2-[2-[[2-[2-(dimethylamino)ethylcarbamoyl]-7-methoxy-9-oxo-10H-acridin-1-yl]amino]ethyl-methylamino]ethylamino]-7-methoxy-9-oxo-10H-acridine-2-carboxamide
SMILESCOc1ccc2[nH]c3ccc(C(=O)NCCN(C)C)c(NCCN(C)CCNc4c(C(=O)NCCN(C)C)ccc5[nH]c6ccc(OC)cc6c(=O)c45)c3c(=O)c2c1
InChIInChI=1S/C43H53N9O6/c1-50(2)20-16-46-42(55)28-10-14-34-36(40(53)30-24-26(57-6)8-12-32(30)48-34)38(28)44-18-22-52(5)23-19-45-39-29(43(56)47-17-21-51(3)4)11-15-35-37(39)41(54)31-25-27(58-7)9-13-33(31)49-35/h8-15,24-25,44-45H,16-23H2,1-7H3,(H,46,55)(H,47,56)(H,48,53)(H,49,54)
InChIKeyGYELEQJRSXMZPY-UHFFFAOYSA-N
MW791.95 g/mol
LogP3.73
Rot. Bonds18

About N-[2-(dimethylamino)ethyl]-1-[2-[2-[[2-[2-(dimethylamino)ethylcarbamoyl]-7-methoxy-9-oxo-10H-acridin-1-yl]amino]ethyl-methylamino]ethylamino]-7-methoxy-9-oxo-10H-acridine-2-carboxamide

N-[2-(dimethylamino)ethyl]-1-[2-[2-[[2-[2-(dimethylamino)ethylcarbamoyl]-7-methoxy-9-oxo-10H-acridin-1-yl]amino]ethyl-methylamino]ethylamino]-7-methoxy-9-oxo-10H-acridine-2-carboxamide (PubChem CID 139892437) has the molecular formula C43H53N9O6 and a molecular weight of 791.95 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-[2-[2-[[2-[2-(dimethylamino)ethylcarbamoyl]-7-methoxy-9-oxo-10H-acridin-1-yl]amino]ethyl-methylamino]ethylamino]-7-methoxy-9-oxo-10H-acridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-[2-[2-[[2-[2-(dimethylamino)ethylcarbamoyl]-7-methoxy-9-oxo-10H-acridin-1-yl]amino]ethyl-methylamino]ethylamino]-7-methoxy-9-oxo-10H-acridine-2-carboxamide
PubChem CID139892437
Molecular FormulaC43H53N9O6
Molecular Weight791.95 g/mol
Exact Mass791.41
IUPAC NameN-[2-(dimethylamino)ethyl]-1-[2-[2-[[2-[2-(dimethylamino)ethylcarbamoyl]-7-methoxy-9-oxo-10H-acridin-1-yl]amino]ethyl-methylamino]ethylamino]-7-methoxy-9-oxo-10H-acridine-2-carboxamide
SMILESCOc1ccc2[nH]c3ccc(C(=O)NCCN(C)C)c(NCCN(C)CCNc4c(C(=O)NCCN(C)C)ccc5[nH]c6ccc(OC)cc6c(=O)c45)c3c(=O)c2c1
InChIInChI=1S/C43H53N9O6/c1-50(2)20-16-46-42(55)28-10-14-34-36(40(53)30-24-26(57-6)8-12-32(30)48-34)38(28)44-18-22-52(5)23-19-45-39-29(43(56)47-17-21-51(3)4)11-15-35-37(39)41(54)31-25-27(58-7)9-13-33(31)49-35/h8-15,24-25,44-45H,16-23H2,1-7H3,(H,46,55)(H,47,56)(H,48,53)(H,49,54)
InChIKeyGYELEQJRSXMZPY-UHFFFAOYSA-N
XLogP3.73
TPSA176.16 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds18
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500791.95
LogP ≤ 53.73
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-[2-(dimethylamino)ethyl]-1-[2-[2-[[2-[2-(dimethylamino)ethylcarbamoyl]-7-methoxy-9-oxo-10H-acridin-1-yl]amino]ethyl-methylamino]ethylamino]-7-methoxy-9-oxo-10H-acridine-2-carboxamide with MolForge

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Related Compounds

1-chloro-N-[2-(dimethylamino)ethyl]-7-methoxy-9-oxo-10H-acridine-2-carboxamide
CID 139892440
2-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide
CID 110763480
N-[2-(dimethylamino)ethyl]-2-iodo-5-methoxybenzamide
CID 172648728
N-(2-hydroxyethyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43813799
2-hydroxy-5-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62641545
2,7-bis[2-(dimethylamino)ethoxy]-10H-acridin-9-one
CID 57439652
1-[2-(dimethylamino)ethylamino]-N-[3-[[1-[2-(dimethylamino)ethylamino]-9-oxo-10H-acridine-4-carbonyl]amino]propyl]-9-oxo-10H-acridine-4-carboxamide
CID 11814469
N-[2-(dimethylamino)ethyl]-8-methoxy-2-oxobenzo[h]chromene-3-carboxamide
CID 54752572
N-[2-(dimethylamino)ethyl]-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203942
6-methoxy-4-oxo-1H-quinoline-3-carbohydrazide
CID 95233454
2,3,4-trifluoro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 113086126
diethyl-[2-[(6-methoxy-4-oxo-1H-quinoline-3-carbonyl)amino]ethyl]azanium
CID 7391278

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-[2-[2-[[2-[2-(dimethylamino)ethylcarbamoyl]-7-methoxy-9-oxo-10H-acridin-1-yl]amino]ethyl-methylamino]ethylamino]-7-methoxy-9-oxo-10H-acridine-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-[2-[2-[[2-[2-(dimethylamino)ethylcarbamoyl]-7-methoxy-9-oxo-10H-acridin-1-yl]amino]ethyl-methylamino]ethylamino]-7-methoxy-9-oxo-10H-acridine-2-carboxamide (CID 139892437) is N-[2-(dimethylamino)ethyl]-1-[2-[2-[[2-[2-(dimethylamino)ethylcarbamoyl]-7-methoxy-9-oxo-10H-acridin-1-yl]amino]ethyl-methylamino]ethylamino]-7-methoxy-9-oxo-10H-acridine-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-[2-[2-[[2-[2-(dimethylamino)ethylcarbamoyl]-7-methoxy-9-oxo-10H-acridin-1-yl]amino]ethyl-methylamino]ethylamino]-7-methoxy-9-oxo-10H-acridine-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-[2-[2-[[2-[2-(dimethylamino)ethylcarbamoyl]-7-methoxy-9-oxo-10H-acridin-1-yl]amino]ethyl-methylamino]ethylamino]-7-methoxy-9-oxo-10H-acridine-2-carboxamide is COc1ccc2[nH]c3ccc(C(=O)NCCN(C)C)c(NCCN(C)CCNc4c(C(=O)NCCN(C)C)ccc5[nH]c6ccc(OC)cc6c(=O)c45)c3c(=O)c2c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-[2-[2-[[2-[2-(dimethylamino)ethylcarbamoyl]-7-methoxy-9-oxo-10H-acridin-1-yl]amino]ethyl-methylamino]ethylamino]-7-methoxy-9-oxo-10H-acridine-2-carboxamide?
The InChIKey is GYELEQJRSXMZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H53N9O6/c1-50(2)20-16-46-42(55)28-10-14-34-36(40(53)30-24-26(57-6)8-12-32(30)48-34)38(28)44-18-22-52(5)23-19-45-39-29(43(56)47-17-21-51(3)4)11-15-35-37(39)41(54)31-25-27(58-7)9-13-33(31)49-35/h8-15,24-25,44-45H,16-23H2,1-7H3,(H,46,55)(H,47,56)(H,48,53)(H,49,54).
What are the key properties of N-[2-(dimethylamino)ethyl]-1-[2-[2-[[2-[2-(dimethylamino)ethylcarbamoyl]-7-methoxy-9-oxo-10H-acridin-1-yl]amino]ethyl-methylamino]ethylamino]-7-methoxy-9-oxo-10H-acridine-2-carboxamide?
N-[2-(dimethylamino)ethyl]-1-[2-[2-[[2-[2-(dimethylamino)ethylcarbamoyl]-7-methoxy-9-oxo-10H-acridin-1-yl]amino]ethyl-methylamino]ethylamino]-7-methoxy-9-oxo-10H-acridine-2-carboxamide has a molecular weight of 791.95 g/mol, XLogP of 3.73, 18 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-[2-[2-[[2-[2-(dimethylamino)ethylcarbamoyl]-7-methoxy-9-oxo-10H-acridin-1-yl]amino]ethyl-methylamino]ethylamino]-7-methoxy-9-oxo-10H-acridine-2-carboxamide is sourced from PubChem (CID 139892437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).