5-[2-(dimethylamino)ethyl]-8-methoxybenzo[c]phenanthridin-6-one

C22H22N2O2 — CID 166635627

IUPAC5-[2-(dimethylamino)ethyl]-8-methoxybenzo[c]phenanthridin-6-one
SMILESCOc1ccc2c(c1)c(=O)n(CCN(C)C)c1c3ccccc3ccc21
InChIInChI=1S/C22H22N2O2/c1-23(2)12-13-24-21-17-7-5-4-6-15(17)8-10-19(21)18-11-9-16(26-3)14-20(18)22(24)25/h4-11,14H,12-13H2,1-3H3
InChIKeyHRZNOEPBSCZGQT-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.88
Rot. Bonds4

About 5-[2-(dimethylamino)ethyl]-8-methoxybenzo[c]phenanthridin-6-one

5-[2-(dimethylamino)ethyl]-8-methoxybenzo[c]phenanthridin-6-one (PubChem CID 166635627) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethyl]-8-methoxybenzo[c]phenanthridin-6-one.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethyl]-8-methoxybenzo[c]phenanthridin-6-one
PubChem CID166635627
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name5-[2-(dimethylamino)ethyl]-8-methoxybenzo[c]phenanthridin-6-one
SMILESCOc1ccc2c(c1)c(=O)n(CCN(C)C)c1c3ccccc3ccc21
InChIInChI=1S/C22H22N2O2/c1-23(2)12-13-24-21-17-7-5-4-6-15(17)8-10-19(21)18-11-9-16(26-3)14-20(18)22(24)25/h4-11,14H,12-13H2,1-3H3
InChIKeyHRZNOEPBSCZGQT-UHFFFAOYSA-N
XLogP3.88
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methoxybenzo[c]phenanthridin-6-one?
The IUPAC name of 5-[2-(dimethylamino)ethyl]-8-methoxybenzo[c]phenanthridin-6-one (CID 166635627) is 5-[2-(dimethylamino)ethyl]-8-methoxybenzo[c]phenanthridin-6-one.
What is the SMILES notation for 5-[2-(dimethylamino)ethyl]-8-methoxybenzo[c]phenanthridin-6-one?
The canonical SMILES for 5-[2-(dimethylamino)ethyl]-8-methoxybenzo[c]phenanthridin-6-one is COc1ccc2c(c1)c(=O)n(CCN(C)C)c1c3ccccc3ccc21.
What is the InChIKey of 5-[2-(dimethylamino)ethyl]-8-methoxybenzo[c]phenanthridin-6-one?
The InChIKey is HRZNOEPBSCZGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-23(2)12-13-24-21-17-7-5-4-6-15(17)8-10-19(21)18-11-9-16(26-3)14-20(18)22(24)25/h4-11,14H,12-13H2,1-3H3.
What are the key properties of 5-[2-(dimethylamino)ethyl]-8-methoxybenzo[c]phenanthridin-6-one?
5-[2-(dimethylamino)ethyl]-8-methoxybenzo[c]phenanthridin-6-one has a molecular weight of 346.43 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethyl]-8-methoxybenzo[c]phenanthridin-6-one is sourced from PubChem (CID 166635627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).