3-[[2-(2,6-dimethoxyphenoxy)ethylamino]methyl]-6,7-dimethoxy-2,3,4,10-tetrahydro-1H-acridin-9-one

C26H32N2O6 — CID 11784634

IUPAC3-[[2-(2,6-dimethoxyphenoxy)ethylamino]methyl]-6,7-dimethoxy-2,3,4,10-tetrahydro-1H-acridin-9-one
SMILESCOc1cc2[nH]c3c(c(=O)c2cc1OC)CCC(CNCCOc1c(OC)cccc1OC)C3
InChIInChI=1S/C26H32N2O6/c1-30-21-6-5-7-22(31-2)26(21)34-11-10-27-15-16-8-9-17-19(12-16)28-20-14-24(33-4)23(32-3)13-18(20)25(17)29/h5-7,13-14,16,27H,8-12,15H2,1-4H3,(H,28,29)
InChIKeyVPMYQPYOAXNVFL-UHFFFAOYSA-N
MW468.55 g/mol
LogP3.34
Rot. Bonds10

About 3-[[2-(2,6-dimethoxyphenoxy)ethylamino]methyl]-6,7-dimethoxy-2,3,4,10-tetrahydro-1H-acridin-9-one

3-[[2-(2,6-dimethoxyphenoxy)ethylamino]methyl]-6,7-dimethoxy-2,3,4,10-tetrahydro-1H-acridin-9-one (PubChem CID 11784634) has the molecular formula C26H32N2O6 and a molecular weight of 468.55 g/mol. Its IUPAC name is 3-[[2-(2,6-dimethoxyphenoxy)ethylamino]methyl]-6,7-dimethoxy-2,3,4,10-tetrahydro-1H-acridin-9-one.

Molecular Properties

Compound Name3-[[2-(2,6-dimethoxyphenoxy)ethylamino]methyl]-6,7-dimethoxy-2,3,4,10-tetrahydro-1H-acridin-9-one
PubChem CID11784634
Molecular FormulaC26H32N2O6
Molecular Weight468.55 g/mol
Exact Mass468.23
IUPAC Name3-[[2-(2,6-dimethoxyphenoxy)ethylamino]methyl]-6,7-dimethoxy-2,3,4,10-tetrahydro-1H-acridin-9-one
SMILESCOc1cc2[nH]c3c(c(=O)c2cc1OC)CCC(CNCCOc1c(OC)cccc1OC)C3
InChIInChI=1S/C26H32N2O6/c1-30-21-6-5-7-22(31-2)26(21)34-11-10-27-15-16-8-9-17-19(12-16)28-20-14-24(33-4)23(32-3)13-18(20)25(17)29/h5-7,13-14,16,27H,8-12,15H2,1-4H3,(H,28,29)
InChIKeyVPMYQPYOAXNVFL-UHFFFAOYSA-N
XLogP3.34
TPSA91.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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CID 1252935
CID 155531223
CID 155531223
CID 754510
CID 754510
CID 2252951
CID 2252951
CID 665151
CID 665151
CID 1510062
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CID 5300097
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CID 787512
CID 787512

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,6-dimethoxyphenoxy)ethylamino]methyl]-6,7-dimethoxy-2,3,4,10-tetrahydro-1H-acridin-9-one?
The IUPAC name of 3-[[2-(2,6-dimethoxyphenoxy)ethylamino]methyl]-6,7-dimethoxy-2,3,4,10-tetrahydro-1H-acridin-9-one (CID 11784634) is 3-[[2-(2,6-dimethoxyphenoxy)ethylamino]methyl]-6,7-dimethoxy-2,3,4,10-tetrahydro-1H-acridin-9-one.
What is the SMILES notation for 3-[[2-(2,6-dimethoxyphenoxy)ethylamino]methyl]-6,7-dimethoxy-2,3,4,10-tetrahydro-1H-acridin-9-one?
The canonical SMILES for 3-[[2-(2,6-dimethoxyphenoxy)ethylamino]methyl]-6,7-dimethoxy-2,3,4,10-tetrahydro-1H-acridin-9-one is COc1cc2[nH]c3c(c(=O)c2cc1OC)CCC(CNCCOc1c(OC)cccc1OC)C3.
What is the InChIKey of 3-[[2-(2,6-dimethoxyphenoxy)ethylamino]methyl]-6,7-dimethoxy-2,3,4,10-tetrahydro-1H-acridin-9-one?
The InChIKey is VPMYQPYOAXNVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O6/c1-30-21-6-5-7-22(31-2)26(21)34-11-10-27-15-16-8-9-17-19(12-16)28-20-14-24(33-4)23(32-3)13-18(20)25(17)29/h5-7,13-14,16,27H,8-12,15H2,1-4H3,(H,28,29).
What are the key properties of 3-[[2-(2,6-dimethoxyphenoxy)ethylamino]methyl]-6,7-dimethoxy-2,3,4,10-tetrahydro-1H-acridin-9-one?
3-[[2-(2,6-dimethoxyphenoxy)ethylamino]methyl]-6,7-dimethoxy-2,3,4,10-tetrahydro-1H-acridin-9-one has a molecular weight of 468.55 g/mol, XLogP of 3.34, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,6-dimethoxyphenoxy)ethylamino]methyl]-6,7-dimethoxy-2,3,4,10-tetrahydro-1H-acridin-9-one is sourced from PubChem (CID 11784634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).