N-[2-(dimethylamino)ethyl]-4-methylbenzo[a]phenazine-11-carboxamide

C22H22N4O — CID 10109054

IUPACN-[2-(dimethylamino)ethyl]-4-methylbenzo[a]phenazine-11-carboxamide
SMILESCc1cccc2c1ccc1nc3cccc(C(=O)NCCN(C)C)c3nc12
InChIInChI=1S/C22H22N4O/c1-14-6-4-7-16-15(14)10-11-19-20(16)25-21-17(8-5-9-18(21)24-19)22(27)23-12-13-26(2)3/h4-11H,12-13H2,1-3H3,(H,23,27)
InChIKeyZLISMQWAURNDCF-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.54
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-4-methylbenzo[a]phenazine-11-carboxamide

N-[2-(dimethylamino)ethyl]-4-methylbenzo[a]phenazine-11-carboxamide (PubChem CID 10109054) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-methylbenzo[a]phenazine-11-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-methylbenzo[a]phenazine-11-carboxamide
PubChem CID10109054
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC NameN-[2-(dimethylamino)ethyl]-4-methylbenzo[a]phenazine-11-carboxamide
SMILESCc1cccc2c1ccc1nc3cccc(C(=O)NCCN(C)C)c3nc12
InChIInChI=1S/C22H22N4O/c1-14-6-4-7-16-15(14)10-11-19-20(16)25-21-17(8-5-9-18(21)24-19)22(27)23-12-13-26(2)3/h4-11H,12-13H2,1-3H3,(H,23,27)
InChIKeyZLISMQWAURNDCF-UHFFFAOYSA-N
XLogP3.54
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-methylbenzo[a]phenazine-11-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-methylbenzo[a]phenazine-11-carboxamide (CID 10109054) is N-[2-(dimethylamino)ethyl]-4-methylbenzo[a]phenazine-11-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-methylbenzo[a]phenazine-11-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-methylbenzo[a]phenazine-11-carboxamide is Cc1cccc2c1ccc1nc3cccc(C(=O)NCCN(C)C)c3nc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-methylbenzo[a]phenazine-11-carboxamide?
The InChIKey is ZLISMQWAURNDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-14-6-4-7-16-15(14)10-11-19-20(16)25-21-17(8-5-9-18(21)24-19)22(27)23-12-13-26(2)3/h4-11H,12-13H2,1-3H3,(H,23,27).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-methylbenzo[a]phenazine-11-carboxamide?
N-[2-(dimethylamino)ethyl]-4-methylbenzo[a]phenazine-11-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-methylbenzo[a]phenazine-11-carboxamide is sourced from PubChem (CID 10109054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).