4-amino-1-[2-(diethylamino)ethylamino]-6,7-dimethoxy-10H-acridin-9-one

C21H28N4O3 — CID 10548076

IUPAC4-amino-1-[2-(diethylamino)ethylamino]-6,7-dimethoxy-10H-acridin-9-one
SMILESCCN(CC)CCNc1ccc(N)c2[nH]c3cc(OC)c(OC)cc3c(=O)c12
InChIInChI=1S/C21H28N4O3/c1-5-25(6-2)10-9-23-15-8-7-14(22)20-19(15)21(26)13-11-17(27-3)18(28-4)12-16(13)24-20/h7-8,11-12,23H,5-6,9-10,22H2,1-4H3,(H,24,26)
InChIKeyVKKUKIUXOYLXEB-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.03
Rot. Bonds8

About 4-amino-1-[2-(diethylamino)ethylamino]-6,7-dimethoxy-10H-acridin-9-one

4-amino-1-[2-(diethylamino)ethylamino]-6,7-dimethoxy-10H-acridin-9-one (PubChem CID 10548076) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-amino-1-[2-(diethylamino)ethylamino]-6,7-dimethoxy-10H-acridin-9-one.

Molecular Properties

Compound Name4-amino-1-[2-(diethylamino)ethylamino]-6,7-dimethoxy-10H-acridin-9-one
PubChem CID10548076
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name4-amino-1-[2-(diethylamino)ethylamino]-6,7-dimethoxy-10H-acridin-9-one
SMILESCCN(CC)CCNc1ccc(N)c2[nH]c3cc(OC)c(OC)cc3c(=O)c12
InChIInChI=1S/C21H28N4O3/c1-5-25(6-2)10-9-23-15-8-7-14(22)20-19(15)21(26)13-11-17(27-3)18(28-4)12-16(13)24-20/h7-8,11-12,23H,5-6,9-10,22H2,1-4H3,(H,24,26)
InChIKeyVKKUKIUXOYLXEB-UHFFFAOYSA-N
XLogP3.03
TPSA92.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(diethylamino)ethylamino]ethylamino]-7-hydroxy-4-nitro-10H-acridin-9-one
CID 10740458
2-[2-(diethylamino)ethylamino]-6,7-dimethoxy-3H-quinazolin-4-one
CID 137303948
4-[2-(diethylamino)ethylamino]-2,9-dihydropyrido[3,4-b]indol-1-one
CID 169316038
methyl 4-amino-3-[2-(diethylamino)ethylamino]benzoate
CID 82791044
N-(5-chloro-2,4-dimethoxyphenyl)-N',N'-diethylethane-1,2-diamine
CID 28576071
1-[2-(diethylamino)ethylamino]-7-methoxythioxanthen-9-one
CID 22915306
N-[3-(diethylamino)propyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 54733002
4-bromo-1-N-[2-(diethylamino)ethyl]benzene-1,2-diamine
CID 28902518
N',N'-diethyl-N-(6-methyl-9H-pyrido[2,3-b]indol-4-yl)ethane-1,2-diamine
CID 44523226
N-[[1-[2-(diethylamino)ethylamino]-9-oxothioxanthen-4-yl]methyl]-2-methoxybenzenesulfonamide
CID 22915332
4-amino-N-[2-(diethylamino)ethyl]-3-methoxybenzamide
CID 58155168
5-amino-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide
CID 79961695

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-(diethylamino)ethylamino]-6,7-dimethoxy-10H-acridin-9-one?
The IUPAC name of 4-amino-1-[2-(diethylamino)ethylamino]-6,7-dimethoxy-10H-acridin-9-one (CID 10548076) is 4-amino-1-[2-(diethylamino)ethylamino]-6,7-dimethoxy-10H-acridin-9-one.
What is the SMILES notation for 4-amino-1-[2-(diethylamino)ethylamino]-6,7-dimethoxy-10H-acridin-9-one?
The canonical SMILES for 4-amino-1-[2-(diethylamino)ethylamino]-6,7-dimethoxy-10H-acridin-9-one is CCN(CC)CCNc1ccc(N)c2[nH]c3cc(OC)c(OC)cc3c(=O)c12.
What is the InChIKey of 4-amino-1-[2-(diethylamino)ethylamino]-6,7-dimethoxy-10H-acridin-9-one?
The InChIKey is VKKUKIUXOYLXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-5-25(6-2)10-9-23-15-8-7-14(22)20-19(15)21(26)13-11-17(27-3)18(28-4)12-16(13)24-20/h7-8,11-12,23H,5-6,9-10,22H2,1-4H3,(H,24,26).
What are the key properties of 4-amino-1-[2-(diethylamino)ethylamino]-6,7-dimethoxy-10H-acridin-9-one?
4-amino-1-[2-(diethylamino)ethylamino]-6,7-dimethoxy-10H-acridin-9-one has a molecular weight of 384.48 g/mol, XLogP of 3.03, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[2-(diethylamino)ethylamino]-6,7-dimethoxy-10H-acridin-9-one is sourced from PubChem (CID 10548076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).