acridin-4-ylmethyl 2-(dimethylamino)acetate

C18H18N2O2 — CID 10957363

IUPACacridin-4-ylmethyl 2-(dimethylamino)acetate
SMILESCN(C)CC(=O)OCc1cccc2cc3ccccc3nc12
InChIInChI=1S/C18H18N2O2/c1-20(2)11-17(21)22-12-15-8-5-7-14-10-13-6-3-4-9-16(13)19-18(14)15/h3-10H,11-12H2,1-2H3
InChIKeyTWPVNGOHCUSWQE-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.99
Rot. Bonds4

About acridin-4-ylmethyl 2-(dimethylamino)acetate

acridin-4-ylmethyl 2-(dimethylamino)acetate (PubChem CID 10957363) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is acridin-4-ylmethyl 2-(dimethylamino)acetate.

Molecular Properties

Compound Nameacridin-4-ylmethyl 2-(dimethylamino)acetate
PubChem CID10957363
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Nameacridin-4-ylmethyl 2-(dimethylamino)acetate
SMILESCN(C)CC(=O)OCc1cccc2cc3ccccc3nc12
InChIInChI=1S/C18H18N2O2/c1-20(2)11-17(21)22-12-15-8-5-7-14-10-13-6-3-4-9-16(13)19-18(14)15/h3-10H,11-12H2,1-2H3
InChIKeyTWPVNGOHCUSWQE-UHFFFAOYSA-N
XLogP2.99
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 acridin-4-ylmethyl 2-(dimethylamino)acetate?
The IUPAC name of acridin-4-ylmethyl 2-(dimethylamino)acetate (CID 10957363) is acridin-4-ylmethyl 2-(dimethylamino)acetate.
What is the SMILES notation for acridin-4-ylmethyl 2-(dimethylamino)acetate?
The canonical SMILES for acridin-4-ylmethyl 2-(dimethylamino)acetate is CN(C)CC(=O)OCc1cccc2cc3ccccc3nc12.
What is the InChIKey of acridin-4-ylmethyl 2-(dimethylamino)acetate?
The InChIKey is TWPVNGOHCUSWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-20(2)11-17(21)22-12-15-8-5-7-14-10-13-6-3-4-9-16(13)19-18(14)15/h3-10H,11-12H2,1-2H3.
What are the key properties of acridin-4-ylmethyl 2-(dimethylamino)acetate?
acridin-4-ylmethyl 2-(dimethylamino)acetate has a molecular weight of 294.35 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acridin-4-ylmethyl 2-(dimethylamino)acetate is sourced from PubChem (CID 10957363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).