3-nitrobenzo[a]phenazine-11-carboxylic acid

C17H9N3O4 — CID 10925216

IUPAC3-nitrobenzo[a]phenazine-11-carboxylic acid
SMILESO=C(O)c1cccc2nc3ccc4cc([N+](=O)[O-])ccc4c3nc12
InChIInChI=1S/C17H9N3O4/c21-17(22)12-2-1-3-13-16(12)19-15-11-6-5-10(20(23)24)8-9(11)4-7-14(15)18-13/h1-8H,(H,21,22)
InChIKeyYWKFCDIYCCGIDC-UHFFFAOYSA-N
MW319.28 g/mol
LogP3.54
Rot. Bonds2

About 3-nitrobenzo[a]phenazine-11-carboxylic acid

3-nitrobenzo[a]phenazine-11-carboxylic acid (PubChem CID 10925216) has the molecular formula C17H9N3O4 and a molecular weight of 319.28 g/mol. Its IUPAC name is 3-nitrobenzo[a]phenazine-11-carboxylic acid.

Molecular Properties

Compound Name3-nitrobenzo[a]phenazine-11-carboxylic acid
PubChem CID10925216
Molecular FormulaC17H9N3O4
Molecular Weight319.28 g/mol
Exact Mass319.06
IUPAC Name3-nitrobenzo[a]phenazine-11-carboxylic acid
SMILESO=C(O)c1cccc2nc3ccc4cc([N+](=O)[O-])ccc4c3nc12
InChIInChI=1S/C17H9N3O4/c21-17(22)12-2-1-3-13-16(12)19-15-11-6-5-10(20(23)24)8-9(11)4-7-14(15)18-13/h1-8H,(H,21,22)
InChIKeyYWKFCDIYCCGIDC-UHFFFAOYSA-N
XLogP3.54
TPSA106.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6666_A(2)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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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Related Compounds

3-methylsulfonylbenzo[a]phenazine-11-carboxylic acid
CID 11035560
N-[2-(dimethylamino)ethyl]-2-nitrobenzo[a]phenazine-11-carboxamide
CID 10134914
6-nitrophenanthrene-1,10-dicarboxylic acid
CID 23364012
2-[(2-nitroacridin-9-yl)amino]benzoic acid
CID 12524879
2-(6-nitro-1H-benzimidazol-2-yl)benzoic acid
CID 767026
2-methyl-6-nitroquinoline-4-carboxylic acid
CID 16637250
5-nitroacridine-1-carboxylic acid
CID 141387922
6-nitro-1-(6-nitronaphthalen-1-yl)naphthalene
CID 174928469
3-nitroacridin-9-amine
CID 26592
2,3-dimethyl-7-nitroquinoxaline-5-carboxylic acid
CID 46707913
naphthalene-1-carboxylic acid;(4-nitrophenyl)methanesulfonic acid
CID 157344982
bis(4-nitrophthalic acid);zirconium
CID 5176883

Frequently Asked Questions

What is the IUPAC name of 3-nitrobenzo[a]phenazine-11-carboxylic acid?
The IUPAC name of 3-nitrobenzo[a]phenazine-11-carboxylic acid (CID 10925216) is 3-nitrobenzo[a]phenazine-11-carboxylic acid.
What is the SMILES notation for 3-nitrobenzo[a]phenazine-11-carboxylic acid?
The canonical SMILES for 3-nitrobenzo[a]phenazine-11-carboxylic acid is O=C(O)c1cccc2nc3ccc4cc([N+](=O)[O-])ccc4c3nc12.
What is the InChIKey of 3-nitrobenzo[a]phenazine-11-carboxylic acid?
The InChIKey is YWKFCDIYCCGIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9N3O4/c21-17(22)12-2-1-3-13-16(12)19-15-11-6-5-10(20(23)24)8-9(11)4-7-14(15)18-13/h1-8H,(H,21,22).
What are the key properties of 3-nitrobenzo[a]phenazine-11-carboxylic acid?
3-nitrobenzo[a]phenazine-11-carboxylic acid has a molecular weight of 319.28 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitrobenzo[a]phenazine-11-carboxylic acid is sourced from PubChem (CID 10925216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).