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

C23H21N5O2 — CID 10157757

IUPAC4-(cyanomethoxy)-N-[2-(dimethylamino)ethyl]benzo[a]phenazine-11-carboxamide
SMILESCN(C)CCNC(=O)c1cccc2nc3ccc4c(OCC#N)cccc4c3nc12
InChIInChI=1S/C23H21N5O2/c1-28(2)13-12-25-23(29)17-6-3-7-18-22(17)27-21-16-5-4-8-20(30-14-11-24)15(16)9-10-19(21)26-18/h3-10H,12-14H2,1-2H3,(H,25,29)
InChIKeyYDSVHRVCBBQAIF-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.13
Rot. Bonds6

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

4-(cyanomethoxy)-N-[2-(dimethylamino)ethyl]benzo[a]phenazine-11-carboxamide (PubChem CID 10157757) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 4-(cyanomethoxy)-N-[2-(dimethylamino)ethyl]benzo[a]phenazine-11-carboxamide.

Molecular Properties

Compound Name4-(cyanomethoxy)-N-[2-(dimethylamino)ethyl]benzo[a]phenazine-11-carboxamide
PubChem CID10157757
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name4-(cyanomethoxy)-N-[2-(dimethylamino)ethyl]benzo[a]phenazine-11-carboxamide
SMILESCN(C)CCNC(=O)c1cccc2nc3ccc4c(OCC#N)cccc4c3nc12
InChIInChI=1S/C23H21N5O2/c1-28(2)13-12-25-23(29)17-6-3-7-18-22(17)27-21-16-5-4-8-20(30-14-11-24)15(16)9-10-19(21)26-18/h3-10H,12-14H2,1-2H3,(H,25,29)
InChIKeyYDSVHRVCBBQAIF-UHFFFAOYSA-N
XLogP3.13
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(cyanomethoxy)-N-[2-(dimethylamino)ethyl]benzo[a]phenazine-11-carboxamide?
The IUPAC name of 4-(cyanomethoxy)-N-[2-(dimethylamino)ethyl]benzo[a]phenazine-11-carboxamide (CID 10157757) is 4-(cyanomethoxy)-N-[2-(dimethylamino)ethyl]benzo[a]phenazine-11-carboxamide.
What is the SMILES notation for 4-(cyanomethoxy)-N-[2-(dimethylamino)ethyl]benzo[a]phenazine-11-carboxamide?
The canonical SMILES for 4-(cyanomethoxy)-N-[2-(dimethylamino)ethyl]benzo[a]phenazine-11-carboxamide is CN(C)CCNC(=O)c1cccc2nc3ccc4c(OCC#N)cccc4c3nc12.
What is the InChIKey of 4-(cyanomethoxy)-N-[2-(dimethylamino)ethyl]benzo[a]phenazine-11-carboxamide?
The InChIKey is YDSVHRVCBBQAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-28(2)13-12-25-23(29)17-6-3-7-18-22(17)27-21-16-5-4-8-20(30-14-11-24)15(16)9-10-19(21)26-18/h3-10H,12-14H2,1-2H3,(H,25,29).
What are the key properties of 4-(cyanomethoxy)-N-[2-(dimethylamino)ethyl]benzo[a]phenazine-11-carboxamide?
4-(cyanomethoxy)-N-[2-(dimethylamino)ethyl]benzo[a]phenazine-11-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyanomethoxy)-N-[2-(dimethylamino)ethyl]benzo[a]phenazine-11-carboxamide is sourced from PubChem (CID 10157757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).