11-[2-(dimethylamino)ethylcarbamoyl]benzo[a]phenazine-4-carboxylic acid

C22H20N4O3 — CID 10300712

IUPAC11-[2-(dimethylamino)ethylcarbamoyl]benzo[a]phenazine-4-carboxylic acid
SMILESCN(C)CCNC(=O)c1cccc2nc3ccc4c(C(=O)O)cccc4c3nc12
InChIInChI=1S/C22H20N4O3/c1-26(2)12-11-23-21(27)16-7-4-8-17-20(16)25-19-14-5-3-6-15(22(28)29)13(14)9-10-18(19)24-17/h3-10H,11-12H2,1-2H3,(H,23,27)(H,28,29)
InChIKeyMCWZXQLIEZHINM-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.93
Rot. Bonds5

About 11-[2-(dimethylamino)ethylcarbamoyl]benzo[a]phenazine-4-carboxylic acid

11-[2-(dimethylamino)ethylcarbamoyl]benzo[a]phenazine-4-carboxylic acid (PubChem CID 10300712) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 11-[2-(dimethylamino)ethylcarbamoyl]benzo[a]phenazine-4-carboxylic acid.

Molecular Properties

Compound Name11-[2-(dimethylamino)ethylcarbamoyl]benzo[a]phenazine-4-carboxylic acid
PubChem CID10300712
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name11-[2-(dimethylamino)ethylcarbamoyl]benzo[a]phenazine-4-carboxylic acid
SMILESCN(C)CCNC(=O)c1cccc2nc3ccc4c(C(=O)O)cccc4c3nc12
InChIInChI=1S/C22H20N4O3/c1-26(2)12-11-23-21(27)16-7-4-8-17-20(16)25-19-14-5-3-6-15(22(28)29)13(14)9-10-18(19)24-17/h3-10H,11-12H2,1-2H3,(H,23,27)(H,28,29)
InChIKeyMCWZXQLIEZHINM-UHFFFAOYSA-N
XLogP2.93
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.93
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 11-[2-(dimethylamino)ethylcarbamoyl]benzo[a]phenazine-4-carboxylic acid?
The IUPAC name of 11-[2-(dimethylamino)ethylcarbamoyl]benzo[a]phenazine-4-carboxylic acid (CID 10300712) is 11-[2-(dimethylamino)ethylcarbamoyl]benzo[a]phenazine-4-carboxylic acid.
What is the SMILES notation for 11-[2-(dimethylamino)ethylcarbamoyl]benzo[a]phenazine-4-carboxylic acid?
The canonical SMILES for 11-[2-(dimethylamino)ethylcarbamoyl]benzo[a]phenazine-4-carboxylic acid is CN(C)CCNC(=O)c1cccc2nc3ccc4c(C(=O)O)cccc4c3nc12.
What is the InChIKey of 11-[2-(dimethylamino)ethylcarbamoyl]benzo[a]phenazine-4-carboxylic acid?
The InChIKey is MCWZXQLIEZHINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-26(2)12-11-23-21(27)16-7-4-8-17-20(16)25-19-14-5-3-6-15(22(28)29)13(14)9-10-18(19)24-17/h3-10H,11-12H2,1-2H3,(H,23,27)(H,28,29).
What are the key properties of 11-[2-(dimethylamino)ethylcarbamoyl]benzo[a]phenazine-4-carboxylic acid?
11-[2-(dimethylamino)ethylcarbamoyl]benzo[a]phenazine-4-carboxylic acid has a molecular weight of 388.43 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[2-(dimethylamino)ethylcarbamoyl]benzo[a]phenazine-4-carboxylic acid is sourced from PubChem (CID 10300712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).