5-(8-nitroquinolin-5-yl)oxypyrazin-2-amine

C13H9N5O3 — CID 116525775

IUPAC5-(8-nitroquinolin-5-yl)oxypyrazin-2-amine
SMILESNc1cnc(Oc2ccc([N+](=O)[O-])c3ncccc23)cn1
InChIInChI=1S/C13H9N5O3/c14-11-6-17-12(7-16-11)21-10-4-3-9(18(19)20)13-8(10)2-1-5-15-13/h1-7H,(H2,14,16)
InChIKeyRCLMAZCPBOGOEB-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.31
Rot. Bonds3

About 5-(8-nitroquinolin-5-yl)oxypyrazin-2-amine

5-(8-nitroquinolin-5-yl)oxypyrazin-2-amine (PubChem CID 116525775) has the molecular formula C13H9N5O3 and a molecular weight of 283.25 g/mol. Its IUPAC name is 5-(8-nitroquinolin-5-yl)oxypyrazin-2-amine.

Molecular Properties

Compound Name5-(8-nitroquinolin-5-yl)oxypyrazin-2-amine
PubChem CID116525775
Molecular FormulaC13H9N5O3
Molecular Weight283.25 g/mol
Exact Mass283.07
IUPAC Name5-(8-nitroquinolin-5-yl)oxypyrazin-2-amine
SMILESNc1cnc(Oc2ccc([N+](=O)[O-])c3ncccc23)cn1
InChIInChI=1S/C13H9N5O3/c14-11-6-17-12(7-16-11)21-10-4-3-9(18(19)20)13-8(10)2-1-5-15-13/h1-7H,(H2,14,16)
InChIKeyRCLMAZCPBOGOEB-UHFFFAOYSA-N
XLogP2.31
TPSA117.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(8-nitroquinolin-5-yl)oxyaniline
CID 8002854
2-(8-nitroquinolin-5-yl)oxyaniline
CID 61027570
5-(2-methyl-3-nitrophenoxy)pyrazin-2-amine
CID 80663589
5-(5-fluoro-2-nitrophenoxy)pyrazin-2-amine
CID 80663467
trifluoro-[(8-nitroquinolin-5-yl)oxymethyl]boranuide
CID 116525706
(8-nitroquinolin-5-yl) carbonochloridate
CID 116525781
methyl 2-(8-nitroquinolin-5-yl)oxypropanoate
CID 116524927
3-(8-nitroquinolin-5-yl)oxypropane-1,2-diol
CID 116525665
8-nitro-5-[3-(trifluoromethyl)phenoxy]quinoline
CID 164876680
5-(2-bromo-3,3,3-trifluoropropoxy)-8-nitroquinoline
CID 116525103
3-(8-nitroquinolin-5-yl)oxypropanehydrazide
CID 116525701
5-methylsulfanyl-8-nitroquinoline
CID 75480915

Frequently Asked Questions

What is the IUPAC name of 5-(8-nitroquinolin-5-yl)oxypyrazin-2-amine?
The IUPAC name of 5-(8-nitroquinolin-5-yl)oxypyrazin-2-amine (CID 116525775) is 5-(8-nitroquinolin-5-yl)oxypyrazin-2-amine.
What is the SMILES notation for 5-(8-nitroquinolin-5-yl)oxypyrazin-2-amine?
The canonical SMILES for 5-(8-nitroquinolin-5-yl)oxypyrazin-2-amine is Nc1cnc(Oc2ccc([N+](=O)[O-])c3ncccc23)cn1.
What is the InChIKey of 5-(8-nitroquinolin-5-yl)oxypyrazin-2-amine?
The InChIKey is RCLMAZCPBOGOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5O3/c14-11-6-17-12(7-16-11)21-10-4-3-9(18(19)20)13-8(10)2-1-5-15-13/h1-7H,(H2,14,16).
What are the key properties of 5-(8-nitroquinolin-5-yl)oxypyrazin-2-amine?
5-(8-nitroquinolin-5-yl)oxypyrazin-2-amine has a molecular weight of 283.25 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-nitroquinolin-5-yl)oxypyrazin-2-amine is sourced from PubChem (CID 116525775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).