10-nitropyrazino[2,3-c]isoquinoline-6-carboxylic acid

C12H6N4O4 — CID 15046242

IUPAC10-nitropyrazino[2,3-c]isoquinoline-6-carboxylic acid
SMILESO=C(O)c1nc2nccnc2c2c([N+](=O)[O-])cccc12
InChIInChI=1S/C12H6N4O4/c17-12(18)9-6-2-1-3-7(16(19)20)8(6)10-11(15-9)14-5-4-13-10/h1-5H,(H,17,18)
InChIKeyFOHOOPFSBXMMPG-UHFFFAOYSA-N
MW270.20 g/mol
LogP1.78
Rot. Bonds2

About 10-nitropyrazino[2,3-c]isoquinoline-6-carboxylic acid

10-nitropyrazino[2,3-c]isoquinoline-6-carboxylic acid (PubChem CID 15046242) has the molecular formula C12H6N4O4 and a molecular weight of 270.20 g/mol. Its IUPAC name is 10-nitropyrazino[2,3-c]isoquinoline-6-carboxylic acid.

Molecular Properties

Compound Name10-nitropyrazino[2,3-c]isoquinoline-6-carboxylic acid
PubChem CID15046242
Molecular FormulaC12H6N4O4
Molecular Weight270.20 g/mol
Exact Mass270.04
IUPAC Name10-nitropyrazino[2,3-c]isoquinoline-6-carboxylic acid
SMILESO=C(O)c1nc2nccnc2c2c([N+](=O)[O-])cccc12
InChIInChI=1S/C12H6N4O4/c17-12(18)9-6-2-1-3-7(16(19)20)8(6)10-11(15-9)14-5-4-13-10/h1-5H,(H,17,18)
InChIKeyFOHOOPFSBXMMPG-UHFFFAOYSA-N
XLogP1.78
TPSA119.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.20
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

10-nitrobenzo[c][1,8]naphthyridine
CID 141035280
1,5,9-trinitrotriphenylene
CID 86227277
5-nitroquinoline-8-carboxylic acid
CID 15405331
8-nitro-N-oxoquinoline-4-carboxamide
CID 126516707
3-(2-fluoro-6-nitrophenoxy)pyrazine-2-carboxylic acid
CID 104832435
5-nitroacridine-1-carboxylic acid
CID 141387922
formonitrile;1-nitronaphthalene
CID 174387830
6-nitrobenzo[b][1,8]naphthyridine-9-carboxylic acid
CID 10355710
1,1'-biphenyl;5-nitroquinoxaline
CID 174497247
1-nitronaphthalene;hydrate
CID 174470741
2-(8-nitroquinolin-4-yl)butanoic acid
CID 113428090
1,1'-biphenyl;1-nitronaphthalene
CID 174805071

Frequently Asked Questions

What is the IUPAC name of 10-nitropyrazino[2,3-c]isoquinoline-6-carboxylic acid?
The IUPAC name of 10-nitropyrazino[2,3-c]isoquinoline-6-carboxylic acid (CID 15046242) is 10-nitropyrazino[2,3-c]isoquinoline-6-carboxylic acid.
What is the SMILES notation for 10-nitropyrazino[2,3-c]isoquinoline-6-carboxylic acid?
The canonical SMILES for 10-nitropyrazino[2,3-c]isoquinoline-6-carboxylic acid is O=C(O)c1nc2nccnc2c2c([N+](=O)[O-])cccc12.
What is the InChIKey of 10-nitropyrazino[2,3-c]isoquinoline-6-carboxylic acid?
The InChIKey is FOHOOPFSBXMMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6N4O4/c17-12(18)9-6-2-1-3-7(16(19)20)8(6)10-11(15-9)14-5-4-13-10/h1-5H,(H,17,18).
What are the key properties of 10-nitropyrazino[2,3-c]isoquinoline-6-carboxylic acid?
10-nitropyrazino[2,3-c]isoquinoline-6-carboxylic acid has a molecular weight of 270.20 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-nitropyrazino[2,3-c]isoquinoline-6-carboxylic acid is sourced from PubChem (CID 15046242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).