7-bromophenazine-1-carboxamide

C13H8BrN3O — CID 118197031

IUPAC7-bromophenazine-1-carboxamide
SMILESNC(=O)c1cccc2nc3cc(Br)ccc3nc12
InChIInChI=1S/C13H8BrN3O/c14-7-4-5-9-11(6-7)16-10-3-1-2-8(13(15)18)12(10)17-9/h1-6H,(H2,15,18)
InChIKeyZMZKNPZPRQJAKV-UHFFFAOYSA-N
MW302.13 g/mol
LogP2.64
Rot. Bonds1

About 7-bromophenazine-1-carboxamide

7-bromophenazine-1-carboxamide (PubChem CID 118197031) has the molecular formula C13H8BrN3O and a molecular weight of 302.13 g/mol. Its IUPAC name is 7-bromophenazine-1-carboxamide.

Molecular Properties

Compound Name7-bromophenazine-1-carboxamide
PubChem CID118197031
Molecular FormulaC13H8BrN3O
Molecular Weight302.13 g/mol
Exact Mass300.99
IUPAC Name7-bromophenazine-1-carboxamide
SMILESNC(=O)c1cccc2nc3cc(Br)ccc3nc12
InChIInChI=1S/C13H8BrN3O/c14-7-4-5-9-11(6-7)16-10-3-1-2-8(13(15)18)12(10)17-9/h1-6H,(H2,15,18)
InChIKeyZMZKNPZPRQJAKV-UHFFFAOYSA-N
XLogP2.64
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.13
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

phenazine-1-carboxamide
CID 141278918
6-bromoacridine-4-carboxamide
CID 174344835
phenazine-1-carboxamide;1,3,4-thiadiazole
CID 175116652
7-bromo-1-methylphenazine
CID 70908217
acridine-4-carboxamide
CID 3025721
phenazine-1-carbonyl chloride
CID 71668468
5-bromoacridine-4-carboxamide
CID 174361134
3-methylquinoxaline-5-carboxamide
CID 58369280
N-methylphenazine-1-carboxamide
CID 4257706
CID 158059021
CID 158059021
2,7,11-tribromophenanthro[9,10-b]quinoxaline
CID 162716062
butyl 8-aminophenazine-1-carboxylate
CID 46187939

Frequently Asked Questions

What is the IUPAC name of 7-bromophenazine-1-carboxamide?
The IUPAC name of 7-bromophenazine-1-carboxamide (CID 118197031) is 7-bromophenazine-1-carboxamide.
What is the SMILES notation for 7-bromophenazine-1-carboxamide?
The canonical SMILES for 7-bromophenazine-1-carboxamide is NC(=O)c1cccc2nc3cc(Br)ccc3nc12.
What is the InChIKey of 7-bromophenazine-1-carboxamide?
The InChIKey is ZMZKNPZPRQJAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3O/c14-7-4-5-9-11(6-7)16-10-3-1-2-8(13(15)18)12(10)17-9/h1-6H,(H2,15,18).
What are the key properties of 7-bromophenazine-1-carboxamide?
7-bromophenazine-1-carboxamide has a molecular weight of 302.13 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromophenazine-1-carboxamide is sourced from PubChem (CID 118197031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).