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

C22H22N4O2 — CID 10134004

IUPACN-[2-(dimethylamino)ethyl]-4-(hydroxymethyl)benzo[a]phenazine-11-carboxamide
SMILESCN(C)CCNC(=O)c1cccc2nc3ccc4c(CO)cccc4c3nc12
InChIInChI=1S/C22H22N4O2/c1-26(2)12-11-23-22(28)17-7-4-8-18-21(17)25-20-16-6-3-5-14(13-27)15(16)9-10-19(20)24-18/h3-10,27H,11-13H2,1-2H3,(H,23,28)
InChIKeyPDGLDIMONSIRHT-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.72
Rot. Bonds5

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

N-[2-(dimethylamino)ethyl]-4-(hydroxymethyl)benzo[a]phenazine-11-carboxamide (PubChem CID 10134004) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-(hydroxymethyl)benzo[a]phenazine-11-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-(hydroxymethyl)benzo[a]phenazine-11-carboxamide
PubChem CID10134004
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-[2-(dimethylamino)ethyl]-4-(hydroxymethyl)benzo[a]phenazine-11-carboxamide
SMILESCN(C)CCNC(=O)c1cccc2nc3ccc4c(CO)cccc4c3nc12
InChIInChI=1S/C22H22N4O2/c1-26(2)12-11-23-22(28)17-7-4-8-18-21(17)25-20-16-6-3-5-14(13-27)15(16)9-10-19(20)24-18/h3-10,27H,11-13H2,1-2H3,(H,23,28)
InChIKeyPDGLDIMONSIRHT-UHFFFAOYSA-N
XLogP2.72
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.72
H-Bond Donors ≤ 52
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 N-[2-(dimethylamino)ethyl]-4-(hydroxymethyl)benzo[a]phenazine-11-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-(hydroxymethyl)benzo[a]phenazine-11-carboxamide (CID 10134004) is N-[2-(dimethylamino)ethyl]-4-(hydroxymethyl)benzo[a]phenazine-11-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-(hydroxymethyl)benzo[a]phenazine-11-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-(hydroxymethyl)benzo[a]phenazine-11-carboxamide is CN(C)CCNC(=O)c1cccc2nc3ccc4c(CO)cccc4c3nc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-(hydroxymethyl)benzo[a]phenazine-11-carboxamide?
The InChIKey is PDGLDIMONSIRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-26(2)12-11-23-22(28)17-7-4-8-18-21(17)25-20-16-6-3-5-14(13-27)15(16)9-10-19(20)24-18/h3-10,27H,11-13H2,1-2H3,(H,23,28).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-(hydroxymethyl)benzo[a]phenazine-11-carboxamide?
N-[2-(dimethylamino)ethyl]-4-(hydroxymethyl)benzo[a]phenazine-11-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-(hydroxymethyl)benzo[a]phenazine-11-carboxamide is sourced from PubChem (CID 10134004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).