10-[2-(dimethylamino)ethyl]-1,4-dimethoxyacridin-9-one

C19H22N2O3 — CID 3025757

IUPAC10-[2-(dimethylamino)ethyl]-1,4-dimethoxyacridin-9-one
SMILESCOc1ccc(OC)c2c1c(=O)c1ccccc1n2CCN(C)C
InChIInChI=1S/C19H22N2O3/c1-20(2)11-12-21-14-8-6-5-7-13(14)19(22)17-15(23-3)9-10-16(24-4)18(17)21/h5-10H,11-12H2,1-4H3
InChIKeyCERRTOVBHOLSLM-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.73
Rot. Bonds5

About 10-[2-(dimethylamino)ethyl]-1,4-dimethoxyacridin-9-one

10-[2-(dimethylamino)ethyl]-1,4-dimethoxyacridin-9-one (PubChem CID 3025757) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 10-[2-(dimethylamino)ethyl]-1,4-dimethoxyacridin-9-one.

Molecular Properties

Compound Name10-[2-(dimethylamino)ethyl]-1,4-dimethoxyacridin-9-one
PubChem CID3025757
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name10-[2-(dimethylamino)ethyl]-1,4-dimethoxyacridin-9-one
SMILESCOc1ccc(OC)c2c1c(=O)c1ccccc1n2CCN(C)C
InChIInChI=1S/C19H22N2O3/c1-20(2)11-12-21-14-8-6-5-7-13(14)19(22)17-15(23-3)9-10-16(24-4)18(17)21/h5-10H,11-12H2,1-4H3
InChIKeyCERRTOVBHOLSLM-UHFFFAOYSA-N
XLogP2.73
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-[2-(dimethylamino)ethyl]-1,4-dimethoxyacridin-9-one?
The IUPAC name of 10-[2-(dimethylamino)ethyl]-1,4-dimethoxyacridin-9-one (CID 3025757) is 10-[2-(dimethylamino)ethyl]-1,4-dimethoxyacridin-9-one.
What is the SMILES notation for 10-[2-(dimethylamino)ethyl]-1,4-dimethoxyacridin-9-one?
The canonical SMILES for 10-[2-(dimethylamino)ethyl]-1,4-dimethoxyacridin-9-one is COc1ccc(OC)c2c1c(=O)c1ccccc1n2CCN(C)C.
What is the InChIKey of 10-[2-(dimethylamino)ethyl]-1,4-dimethoxyacridin-9-one?
The InChIKey is CERRTOVBHOLSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-20(2)11-12-21-14-8-6-5-7-13(14)19(22)17-15(23-3)9-10-16(24-4)18(17)21/h5-10H,11-12H2,1-4H3.
What are the key properties of 10-[2-(dimethylamino)ethyl]-1,4-dimethoxyacridin-9-one?
10-[2-(dimethylamino)ethyl]-1,4-dimethoxyacridin-9-one has a molecular weight of 326.40 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(dimethylamino)ethyl]-1,4-dimethoxyacridin-9-one is sourced from PubChem (CID 3025757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).