N-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-7-methoxyacridine-4-carboxamide

C23H31N5O2 — CID 10787675

IUPACN-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-7-methoxyacridine-4-carboxamide
SMILESCOc1ccc2nc3c(C(=O)NCCN(C)C)ccc(NCCN(C)C)c3cc2c1
InChIInChI=1S/C23H31N5O2/c1-27(2)12-10-24-21-9-7-18(23(29)25-11-13-28(3)4)22-19(21)15-16-14-17(30-5)6-8-20(16)26-22/h6-9,14-15,24H,10-13H2,1-5H3,(H,25,29)
InChIKeyFGYHLONDRHSUDG-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.66
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-7-methoxyacridine-4-carboxamide

N-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-7-methoxyacridine-4-carboxamide (PubChem CID 10787675) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-7-methoxyacridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-7-methoxyacridine-4-carboxamide
PubChem CID10787675
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC NameN-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-7-methoxyacridine-4-carboxamide
SMILESCOc1ccc2nc3c(C(=O)NCCN(C)C)ccc(NCCN(C)C)c3cc2c1
InChIInChI=1S/C23H31N5O2/c1-27(2)12-10-24-21-9-7-18(23(29)25-11-13-28(3)4)22-19(21)15-16-14-17(30-5)6-8-20(16)26-22/h6-9,14-15,24H,10-13H2,1-5H3,(H,25,29)
InChIKeyFGYHLONDRHSUDG-UHFFFAOYSA-N
XLogP2.66
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

XR-11576
CID 9886593
4-Methoxy-benzo[a]phenazine-11-carboxylic acid (2-dimethylamino-1-methyl-ethyl)-amide
CID 11090378
Ethyl 6-methoxy-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-3-carboxylate
CID 1272562
3-methoxy-N-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]benzamide
CID 49850984
N-[2-(dimethylamino)ethyl]-3-[3-[4-(3-methoxyanilino)-5-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide
CID 53493995
6-Methoxy-2-methylquinoline-3-carboxamide
CID 612228
N-[2-(4-methoxyphenyl)ethyl]quinoline-2-carboxamide
CID 2093012
4-Acridinecarboxamide, 9-amino-N-(2-(dimethylamino)ethyl)-1-methoxy-
CID 150543
Piperazine, 4-benzoyl-1-[1,2-dioxo-2-(6-methoxy-2-quinolinyl)ethyl]-2-methyl-
CID 5280289
4-anilino-7-methoxy-N-methyl-6-[(4-methylpiperazin-1-yl)methoxy]quinoline-3-carboxamide
CID 162661735
N-[(2-methoxyphenyl)methyl]quinoline-2-carboxamide
CID 485056
4-(2,4-Difluorophenylamino)-6-methoxy-7-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
CID 44571150

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-7-methoxyacridine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-7-methoxyacridine-4-carboxamide (CID 10787675) is N-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-7-methoxyacridine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-7-methoxyacridine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-7-methoxyacridine-4-carboxamide is COc1ccc2nc3c(C(=O)NCCN(C)C)ccc(NCCN(C)C)c3cc2c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-7-methoxyacridine-4-carboxamide?
The InChIKey is FGYHLONDRHSUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2/c1-27(2)12-10-24-21-9-7-18(23(29)25-11-13-28(3)4)22-19(21)15-16-14-17(30-5)6-8-20(16)26-22/h6-9,14-15,24H,10-13H2,1-5H3,(H,25,29).
What are the key properties of N-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-7-methoxyacridine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-7-methoxyacridine-4-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 2.66, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-7-methoxyacridine-4-carboxamide is sourced from PubChem (CID 10787675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).