5-hydroxy-2-oxo-7H-benzo[a]phenazine-9-carboxylic acid

C17H10N2O4 — CID 175633079

IUPAC5-hydroxy-2-oxo-7H-benzo[a]phenazine-9-carboxylic acid
SMILESO=C(O)c1ccc2nc3c(cc(O)c4ccc(=O)cc43)[nH]c2c1
InChIInChI=1S/C17H10N2O4/c20-9-2-3-10-11(6-9)16-14(7-15(10)21)18-13-5-8(17(22)23)1-4-12(13)19-16/h1-7,18,21H,(H,22,23)
InChIKeyRDGDGIZICSMWFO-UHFFFAOYSA-N
MW306.28 g/mol
LogP2.63
Rot. Bonds1

About 5-hydroxy-2-oxo-7H-benzo[a]phenazine-9-carboxylic acid

5-hydroxy-2-oxo-7H-benzo[a]phenazine-9-carboxylic acid (PubChem CID 175633079) has the molecular formula C17H10N2O4 and a molecular weight of 306.28 g/mol. Its IUPAC name is 5-hydroxy-2-oxo-7H-benzo[a]phenazine-9-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-2-oxo-7H-benzo[a]phenazine-9-carboxylic acid
PubChem CID175633079
Molecular FormulaC17H10N2O4
Molecular Weight306.28 g/mol
Exact Mass306.06
IUPAC Name5-hydroxy-2-oxo-7H-benzo[a]phenazine-9-carboxylic acid
SMILESO=C(O)c1ccc2nc3c(cc(O)c4ccc(=O)cc43)[nH]c2c1
InChIInChI=1S/C17H10N2O4/c20-9-2-3-10-11(6-9)16-14(7-15(10)21)18-13-5-8(17(22)23)1-4-12(13)19-16/h1-7,18,21H,(H,22,23)
InChIKeyRDGDGIZICSMWFO-UHFFFAOYSA-N
XLogP2.63
TPSA103.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

Analyze 5-hydroxy-2-oxo-7H-benzo[a]phenazine-9-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 162148176
6H-indolo[3,2-b]quinoxaline-8-carboxylic acid
CID 68570338
3-bromo-2-methyl-5H-pyrido[3,2-b]indole-7-carboxylic acid
CID 138520788
2-(trifluoromethyl)-3H-benzimidazole-5-carboxylic acid;hydrate
CID 21216041
2-piperidin-1-yl-3H-benzimidazole-5-carboxylic acid
CID 82563117
2-[3-(6-carboxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 2728750
2-propan-2-yl-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 17368247
2-[(1R)-1-hydroxyethyl]-3H-benzimidazole-5-carboxylic acid
CID 832002
2-(2-oxo-3H-benzimidazol-1-yl)-3H-benzimidazole-5-carboxylic acid
CID 70143818
2-pyridin-4-yl-3H-benzimidazole-5-carboxylic acid
CID 2771800
2-pentadecyl-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 158269764
2-(4-aminophenyl)-3H-benzimidazole-5-carboxylic acid
CID 774873

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-oxo-7H-benzo[a]phenazine-9-carboxylic acid?
The IUPAC name of 5-hydroxy-2-oxo-7H-benzo[a]phenazine-9-carboxylic acid (CID 175633079) is 5-hydroxy-2-oxo-7H-benzo[a]phenazine-9-carboxylic acid.
What is the SMILES notation for 5-hydroxy-2-oxo-7H-benzo[a]phenazine-9-carboxylic acid?
The canonical SMILES for 5-hydroxy-2-oxo-7H-benzo[a]phenazine-9-carboxylic acid is O=C(O)c1ccc2nc3c(cc(O)c4ccc(=O)cc43)[nH]c2c1.
What is the InChIKey of 5-hydroxy-2-oxo-7H-benzo[a]phenazine-9-carboxylic acid?
The InChIKey is RDGDGIZICSMWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2O4/c20-9-2-3-10-11(6-9)16-14(7-15(10)21)18-13-5-8(17(22)23)1-4-12(13)19-16/h1-7,18,21H,(H,22,23).
What are the key properties of 5-hydroxy-2-oxo-7H-benzo[a]phenazine-9-carboxylic acid?
5-hydroxy-2-oxo-7H-benzo[a]phenazine-9-carboxylic acid has a molecular weight of 306.28 g/mol, XLogP of 2.63, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-oxo-7H-benzo[a]phenazine-9-carboxylic acid is sourced from PubChem (CID 175633079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).