5-[2-(dimethylamino)ethyl]-8,9-dimethoxybenzo[c]phenanthridin-6-one

C23H24N2O3 — CID 166636164

IUPAC5-[2-(dimethylamino)ethyl]-8,9-dimethoxybenzo[c]phenanthridin-6-one
SMILESCOc1cc2c(=O)n(CCN(C)C)c3c4ccccc4ccc3c2cc1OC
InChIInChI=1S/C23H24N2O3/c1-24(2)11-12-25-22-16-8-6-5-7-15(16)9-10-17(22)18-13-20(27-3)21(28-4)14-19(18)23(25)26/h5-10,13-14H,11-12H2,1-4H3
InChIKeyJLZQEKPDYCWCPC-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.89
Rot. Bonds5

About 5-[2-(dimethylamino)ethyl]-8,9-dimethoxybenzo[c]phenanthridin-6-one

5-[2-(dimethylamino)ethyl]-8,9-dimethoxybenzo[c]phenanthridin-6-one (PubChem CID 166636164) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethyl]-8,9-dimethoxybenzo[c]phenanthridin-6-one.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethyl]-8,9-dimethoxybenzo[c]phenanthridin-6-one
PubChem CID166636164
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name5-[2-(dimethylamino)ethyl]-8,9-dimethoxybenzo[c]phenanthridin-6-one
SMILESCOc1cc2c(=O)n(CCN(C)C)c3c4ccccc4ccc3c2cc1OC
InChIInChI=1S/C23H24N2O3/c1-24(2)11-12-25-22-16-8-6-5-7-15(16)9-10-17(22)18-13-20(27-3)21(28-4)14-19(18)23(25)26/h5-10,13-14H,11-12H2,1-4H3
InChIKeyJLZQEKPDYCWCPC-UHFFFAOYSA-N
XLogP3.89
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethyl]-8,9-dimethoxybenzo[c]phenanthridin-6-one?
The IUPAC name of 5-[2-(dimethylamino)ethyl]-8,9-dimethoxybenzo[c]phenanthridin-6-one (CID 166636164) is 5-[2-(dimethylamino)ethyl]-8,9-dimethoxybenzo[c]phenanthridin-6-one.
What is the SMILES notation for 5-[2-(dimethylamino)ethyl]-8,9-dimethoxybenzo[c]phenanthridin-6-one?
The canonical SMILES for 5-[2-(dimethylamino)ethyl]-8,9-dimethoxybenzo[c]phenanthridin-6-one is COc1cc2c(=O)n(CCN(C)C)c3c4ccccc4ccc3c2cc1OC.
What is the InChIKey of 5-[2-(dimethylamino)ethyl]-8,9-dimethoxybenzo[c]phenanthridin-6-one?
The InChIKey is JLZQEKPDYCWCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-24(2)11-12-25-22-16-8-6-5-7-15(16)9-10-17(22)18-13-20(27-3)21(28-4)14-19(18)23(25)26/h5-10,13-14H,11-12H2,1-4H3.
What are the key properties of 5-[2-(dimethylamino)ethyl]-8,9-dimethoxybenzo[c]phenanthridin-6-one?
5-[2-(dimethylamino)ethyl]-8,9-dimethoxybenzo[c]phenanthridin-6-one has a molecular weight of 376.46 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethyl]-8,9-dimethoxybenzo[c]phenanthridin-6-one is sourced from PubChem (CID 166636164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).