10-[2-(diethylamino)ethyl]-6-(dimethylamino)-1,3-dimethoxy-7-nitroacridin-9-one

C23H30N4O5 — CID 10575195

IUPAC10-[2-(diethylamino)ethyl]-6-(dimethylamino)-1,3-dimethoxy-7-nitroacridin-9-one
SMILESCCN(CC)CCn1c2cc(N(C)C)c([N+](=O)[O-])cc2c(=O)c2c(OC)cc(OC)cc21
InChIInChI=1S/C23H30N4O5/c1-7-25(8-2)9-10-26-17-14-18(24(3)4)19(27(29)30)13-16(17)23(28)22-20(26)11-15(31-5)12-21(22)32-6/h11-14H,7-10H2,1-6H3
InChIKeyADCCOKJBFVJCOV-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.49
Rot. Bonds9

About 10-[2-(diethylamino)ethyl]-6-(dimethylamino)-1,3-dimethoxy-7-nitroacridin-9-one

10-[2-(diethylamino)ethyl]-6-(dimethylamino)-1,3-dimethoxy-7-nitroacridin-9-one (PubChem CID 10575195) has the molecular formula C23H30N4O5 and a molecular weight of 442.52 g/mol. Its IUPAC name is 10-[2-(diethylamino)ethyl]-6-(dimethylamino)-1,3-dimethoxy-7-nitroacridin-9-one.

Molecular Properties

Compound Name10-[2-(diethylamino)ethyl]-6-(dimethylamino)-1,3-dimethoxy-7-nitroacridin-9-one
PubChem CID10575195
Molecular FormulaC23H30N4O5
Molecular Weight442.52 g/mol
Exact Mass442.22
IUPAC Name10-[2-(diethylamino)ethyl]-6-(dimethylamino)-1,3-dimethoxy-7-nitroacridin-9-one
SMILESCCN(CC)CCn1c2cc(N(C)C)c([N+](=O)[O-])cc2c(=O)c2c(OC)cc(OC)cc21
InChIInChI=1S/C23H30N4O5/c1-7-25(8-2)9-10-26-17-14-18(24(3)4)19(27(29)30)13-16(17)23(28)22-20(26)11-15(31-5)12-21(22)32-6/h11-14H,7-10H2,1-6H3
InChIKeyADCCOKJBFVJCOV-UHFFFAOYSA-N
XLogP3.49
TPSA90.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

10-ethyl-1,3-dimethoxy-6-(4-methylpiperazin-1-yl)-7-nitroacridin-9-one
CID 10526453
5,12-diethyl-1,3,8,10-tetramethoxyquinolino[2,3-b]acridine-7,14-dione
CID 141053736
N',N'-diethyl-N-(3-methoxy-4-nitrophenyl)-N-methylethane-1,2-diamine
CID 144693023
5-methoxy-N,N-dimethyl-2-nitroaniline
CID 19827456
N,N-diethyl-2-(4-methoxy-3-nitrophenoxy)ethanamine
CID 59427849
3-bromo-1-[2-(diethylamino)ethyl]-5-nitropyridin-4-one
CID 86791788
N,N-diethyl-2-(3-methyl-6-nitrocarbazol-9-yl)ethanamine
CID 58544932
N-ethyl-N-(4-methoxy-2,6-dinitrophenyl)hydroxylamine
CID 87512299
N,N-diethyl-2-(5-methoxy-10-nitro-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-14-yl)ethanamine
CID 14872074
N,N-diethyl-2-(3-methoxy-5-nitrophenoxy)ethanamine
CID 142721432
2-fluoro-1,5-dimethoxy-3-nitrobenzene
CID 15324514
1-[2-[1-acetyl-4,6-dimethoxy-3-(4-nitrophenyl)indol-2-yl]-4,6-dimethoxy-3-(4-nitrophenyl)indol-1-yl]ethanone
CID 102410419

Frequently Asked Questions

What is the IUPAC name of 10-[2-(diethylamino)ethyl]-6-(dimethylamino)-1,3-dimethoxy-7-nitroacridin-9-one?
The IUPAC name of 10-[2-(diethylamino)ethyl]-6-(dimethylamino)-1,3-dimethoxy-7-nitroacridin-9-one (CID 10575195) is 10-[2-(diethylamino)ethyl]-6-(dimethylamino)-1,3-dimethoxy-7-nitroacridin-9-one.
What is the SMILES notation for 10-[2-(diethylamino)ethyl]-6-(dimethylamino)-1,3-dimethoxy-7-nitroacridin-9-one?
The canonical SMILES for 10-[2-(diethylamino)ethyl]-6-(dimethylamino)-1,3-dimethoxy-7-nitroacridin-9-one is CCN(CC)CCn1c2cc(N(C)C)c([N+](=O)[O-])cc2c(=O)c2c(OC)cc(OC)cc21.
What is the InChIKey of 10-[2-(diethylamino)ethyl]-6-(dimethylamino)-1,3-dimethoxy-7-nitroacridin-9-one?
The InChIKey is ADCCOKJBFVJCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O5/c1-7-25(8-2)9-10-26-17-14-18(24(3)4)19(27(29)30)13-16(17)23(28)22-20(26)11-15(31-5)12-21(22)32-6/h11-14H,7-10H2,1-6H3.
What are the key properties of 10-[2-(diethylamino)ethyl]-6-(dimethylamino)-1,3-dimethoxy-7-nitroacridin-9-one?
10-[2-(diethylamino)ethyl]-6-(dimethylamino)-1,3-dimethoxy-7-nitroacridin-9-one has a molecular weight of 442.52 g/mol, XLogP of 3.49, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(diethylamino)ethyl]-6-(dimethylamino)-1,3-dimethoxy-7-nitroacridin-9-one is sourced from PubChem (CID 10575195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).