10-methyl-2-(2-pyrrol-1-ylethoxy)acridin-9-one

C20H18N2O2 — CID 70576800

IUPAC10-methyl-2-(2-pyrrol-1-ylethoxy)acridin-9-one
SMILESCn1c2ccccc2c(=O)c2cc(OCCn3cccc3)ccc21
InChIInChI=1S/C20H18N2O2/c1-21-18-7-3-2-6-16(18)20(23)17-14-15(8-9-19(17)21)24-13-12-22-10-4-5-11-22/h2-11,14H,12-13H2,1H3
InChIKeyVBWZIGFHBXUCPL-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.57
Rot. Bonds4

About 10-methyl-2-(2-pyrrol-1-ylethoxy)acridin-9-one

10-methyl-2-(2-pyrrol-1-ylethoxy)acridin-9-one (PubChem CID 70576800) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 10-methyl-2-(2-pyrrol-1-ylethoxy)acridin-9-one.

Molecular Properties

Compound Name10-methyl-2-(2-pyrrol-1-ylethoxy)acridin-9-one
PubChem CID70576800
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name10-methyl-2-(2-pyrrol-1-ylethoxy)acridin-9-one
SMILESCn1c2ccccc2c(=O)c2cc(OCCn3cccc3)ccc21
InChIInChI=1S/C20H18N2O2/c1-21-18-7-3-2-6-16(18)20(23)17-14-15(8-9-19(17)21)24-13-12-22-10-4-5-11-22/h2-11,14H,12-13H2,1H3
InChIKeyVBWZIGFHBXUCPL-UHFFFAOYSA-N
XLogP3.57
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.57
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 10-methyl-2-(2-pyrrol-1-ylethoxy)acridin-9-one?
The IUPAC name of 10-methyl-2-(2-pyrrol-1-ylethoxy)acridin-9-one (CID 70576800) is 10-methyl-2-(2-pyrrol-1-ylethoxy)acridin-9-one.
What is the SMILES notation for 10-methyl-2-(2-pyrrol-1-ylethoxy)acridin-9-one?
The canonical SMILES for 10-methyl-2-(2-pyrrol-1-ylethoxy)acridin-9-one is Cn1c2ccccc2c(=O)c2cc(OCCn3cccc3)ccc21.
What is the InChIKey of 10-methyl-2-(2-pyrrol-1-ylethoxy)acridin-9-one?
The InChIKey is VBWZIGFHBXUCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-21-18-7-3-2-6-16(18)20(23)17-14-15(8-9-19(17)21)24-13-12-22-10-4-5-11-22/h2-11,14H,12-13H2,1H3.
What are the key properties of 10-methyl-2-(2-pyrrol-1-ylethoxy)acridin-9-one?
10-methyl-2-(2-pyrrol-1-ylethoxy)acridin-9-one has a molecular weight of 318.38 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-2-(2-pyrrol-1-ylethoxy)acridin-9-one is sourced from PubChem (CID 70576800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).