5-[2-(dimethylamino)ethyl]-2,3,8,9-tetramethoxybenzo[c]phenanthridin-6-one

C25H28N2O5 — CID 166634884

IUPAC5-[2-(dimethylamino)ethyl]-2,3,8,9-tetramethoxybenzo[c]phenanthridin-6-one
SMILESCOc1cc2ccc3c4cc(OC)c(OC)cc4c(=O)n(CCN(C)C)c3c2cc1OC
InChIInChI=1S/C25H28N2O5/c1-26(2)9-10-27-24-16(8-7-15-11-20(29-3)21(30-4)12-17(15)24)18-13-22(31-5)23(32-6)14-19(18)25(27)28/h7-8,11-14H,9-10H2,1-6H3
InChIKeyZYAKTTFWPUIVGH-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.90
Rot. Bonds7

About 5-[2-(dimethylamino)ethyl]-2,3,8,9-tetramethoxybenzo[c]phenanthridin-6-one

5-[2-(dimethylamino)ethyl]-2,3,8,9-tetramethoxybenzo[c]phenanthridin-6-one (PubChem CID 166634884) has the molecular formula C25H28N2O5 and a molecular weight of 436.51 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethyl]-2,3,8,9-tetramethoxybenzo[c]phenanthridin-6-one.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethyl]-2,3,8,9-tetramethoxybenzo[c]phenanthridin-6-one
PubChem CID166634884
Molecular FormulaC25H28N2O5
Molecular Weight436.51 g/mol
Exact Mass436.20
IUPAC Name5-[2-(dimethylamino)ethyl]-2,3,8,9-tetramethoxybenzo[c]phenanthridin-6-one
SMILESCOc1cc2ccc3c4cc(OC)c(OC)cc4c(=O)n(CCN(C)C)c3c2cc1OC
InChIInChI=1S/C25H28N2O5/c1-26(2)9-10-27-24-16(8-7-15-11-20(29-3)21(30-4)12-17(15)24)18-13-22(31-5)23(32-6)14-19(18)25(27)28/h7-8,11-14H,9-10H2,1-6H3
InChIKeyZYAKTTFWPUIVGH-UHFFFAOYSA-N
XLogP3.90
TPSA62.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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]-2,3,8,9-tetramethoxybenzo[c]phenanthridin-6-one?
The IUPAC name of 5-[2-(dimethylamino)ethyl]-2,3,8,9-tetramethoxybenzo[c]phenanthridin-6-one (CID 166634884) is 5-[2-(dimethylamino)ethyl]-2,3,8,9-tetramethoxybenzo[c]phenanthridin-6-one.
What is the SMILES notation for 5-[2-(dimethylamino)ethyl]-2,3,8,9-tetramethoxybenzo[c]phenanthridin-6-one?
The canonical SMILES for 5-[2-(dimethylamino)ethyl]-2,3,8,9-tetramethoxybenzo[c]phenanthridin-6-one is COc1cc2ccc3c4cc(OC)c(OC)cc4c(=O)n(CCN(C)C)c3c2cc1OC.
What is the InChIKey of 5-[2-(dimethylamino)ethyl]-2,3,8,9-tetramethoxybenzo[c]phenanthridin-6-one?
The InChIKey is ZYAKTTFWPUIVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5/c1-26(2)9-10-27-24-16(8-7-15-11-20(29-3)21(30-4)12-17(15)24)18-13-22(31-5)23(32-6)14-19(18)25(27)28/h7-8,11-14H,9-10H2,1-6H3.
What are the key properties of 5-[2-(dimethylamino)ethyl]-2,3,8,9-tetramethoxybenzo[c]phenanthridin-6-one?
5-[2-(dimethylamino)ethyl]-2,3,8,9-tetramethoxybenzo[c]phenanthridin-6-one has a molecular weight of 436.51 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethyl]-2,3,8,9-tetramethoxybenzo[c]phenanthridin-6-one is sourced from PubChem (CID 166634884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).