N-[2-(dimethylamino)ethyl]-2-methoxybenzo[a]phenazine-11-carboxamide

C22H22N4O2 — CID 10156262

IUPACN-[2-(dimethylamino)ethyl]-2-methoxybenzo[a]phenazine-11-carboxamide
SMILESCOc1ccc2ccc3nc4cccc(C(=O)NCCN(C)C)c4nc3c2c1
InChIInChI=1S/C22H22N4O2/c1-26(2)12-11-23-22(27)16-5-4-6-18-20(16)25-21-17-13-15(28-3)9-7-14(17)8-10-19(21)24-18/h4-10,13H,11-12H2,1-3H3,(H,23,27)
InChIKeyFZSJNRJJRLRTOO-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.24
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-2-methoxybenzo[a]phenazine-11-carboxamide

N-[2-(dimethylamino)ethyl]-2-methoxybenzo[a]phenazine-11-carboxamide (PubChem CID 10156262) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-methoxybenzo[a]phenazine-11-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-methoxybenzo[a]phenazine-11-carboxamide
PubChem CID10156262
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-[2-(dimethylamino)ethyl]-2-methoxybenzo[a]phenazine-11-carboxamide
SMILESCOc1ccc2ccc3nc4cccc(C(=O)NCCN(C)C)c4nc3c2c1
InChIInChI=1S/C22H22N4O2/c1-26(2)12-11-23-22(27)16-5-4-6-18-20(16)25-21-17-13-15(28-3)9-7-14(17)8-10-19(21)24-18/h4-10,13H,11-12H2,1-3H3,(H,23,27)
InChIKeyFZSJNRJJRLRTOO-UHFFFAOYSA-N
XLogP3.24
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6666_A(2)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-[2-(dimethylamino)ethyl]-2-methoxybenzo[a]phenazine-11-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-methoxybenzo[a]phenazine-11-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-methoxybenzo[a]phenazine-11-carboxamide (CID 10156262) is N-[2-(dimethylamino)ethyl]-2-methoxybenzo[a]phenazine-11-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-methoxybenzo[a]phenazine-11-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-methoxybenzo[a]phenazine-11-carboxamide is COc1ccc2ccc3nc4cccc(C(=O)NCCN(C)C)c4nc3c2c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-methoxybenzo[a]phenazine-11-carboxamide?
The InChIKey is FZSJNRJJRLRTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-26(2)12-11-23-22(27)16-5-4-6-18-20(16)25-21-17-13-15(28-3)9-7-14(17)8-10-19(21)24-18/h4-10,13H,11-12H2,1-3H3,(H,23,27).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-methoxybenzo[a]phenazine-11-carboxamide?
N-[2-(dimethylamino)ethyl]-2-methoxybenzo[a]phenazine-11-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-methoxybenzo[a]phenazine-11-carboxamide is sourced from PubChem (CID 10156262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).