4-methoxy-N-(2-piperidin-1-ylethyl)benzo[a]phenazine-11-carboxamide

C25H26N4O2 — CID 10295282

IUPAC4-methoxy-N-(2-piperidin-1-ylethyl)benzo[a]phenazine-11-carboxamide
SMILESCOc1cccc2c1ccc1nc3cccc(C(=O)NCCN4CCCCC4)c3nc12
InChIInChI=1S/C25H26N4O2/c1-31-22-10-6-7-18-17(22)11-12-21-23(18)28-24-19(8-5-9-20(24)27-21)25(30)26-13-16-29-14-3-2-4-15-29/h5-12H,2-4,13-16H2,1H3,(H,26,30)
InChIKeyNTKVTWICPIKBGV-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.16
Rot. Bonds5

About 4-methoxy-N-(2-piperidin-1-ylethyl)benzo[a]phenazine-11-carboxamide

4-methoxy-N-(2-piperidin-1-ylethyl)benzo[a]phenazine-11-carboxamide (PubChem CID 10295282) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 4-methoxy-N-(2-piperidin-1-ylethyl)benzo[a]phenazine-11-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-(2-piperidin-1-ylethyl)benzo[a]phenazine-11-carboxamide
PubChem CID10295282
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name4-methoxy-N-(2-piperidin-1-ylethyl)benzo[a]phenazine-11-carboxamide
SMILESCOc1cccc2c1ccc1nc3cccc(C(=O)NCCN4CCCCC4)c3nc12
InChIInChI=1S/C25H26N4O2/c1-31-22-10-6-7-18-17(22)11-12-21-23(18)28-24-19(8-5-9-20(24)27-21)25(30)26-13-16-29-14-3-2-4-15-29/h5-12H,2-4,13-16H2,1H3,(H,26,30)
InChIKeyNTKVTWICPIKBGV-UHFFFAOYSA-N
XLogP4.16
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.16
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-piperidin-1-ylethyl)benzo[a]phenazine-11-carboxamide?
The IUPAC name of 4-methoxy-N-(2-piperidin-1-ylethyl)benzo[a]phenazine-11-carboxamide (CID 10295282) is 4-methoxy-N-(2-piperidin-1-ylethyl)benzo[a]phenazine-11-carboxamide.
What is the SMILES notation for 4-methoxy-N-(2-piperidin-1-ylethyl)benzo[a]phenazine-11-carboxamide?
The canonical SMILES for 4-methoxy-N-(2-piperidin-1-ylethyl)benzo[a]phenazine-11-carboxamide is COc1cccc2c1ccc1nc3cccc(C(=O)NCCN4CCCCC4)c3nc12.
What is the InChIKey of 4-methoxy-N-(2-piperidin-1-ylethyl)benzo[a]phenazine-11-carboxamide?
The InChIKey is NTKVTWICPIKBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-31-22-10-6-7-18-17(22)11-12-21-23(18)28-24-19(8-5-9-20(24)27-21)25(30)26-13-16-29-14-3-2-4-15-29/h5-12H,2-4,13-16H2,1H3,(H,26,30).
What are the key properties of 4-methoxy-N-(2-piperidin-1-ylethyl)benzo[a]phenazine-11-carboxamide?
4-methoxy-N-(2-piperidin-1-ylethyl)benzo[a]phenazine-11-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-piperidin-1-ylethyl)benzo[a]phenazine-11-carboxamide is sourced from PubChem (CID 10295282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).