(quinoxalin-2-ylamino) formate

C9H7N3O2 — CID 89003133

IUPAC(quinoxalin-2-ylamino) formate
SMILESO=CONc1cnc2ccccc2n1
InChIInChI=1S/C9H7N3O2/c13-6-14-12-9-5-10-7-3-1-2-4-8(7)11-9/h1-6H,(H,11,12)
InChIKeySPCSIUIPRZEEFN-UHFFFAOYSA-N
MW189.17 g/mol
LogP1.13
Rot. Bonds3

About (quinoxalin-2-ylamino) formate

(quinoxalin-2-ylamino) formate (PubChem CID 89003133) has the molecular formula C9H7N3O2 and a molecular weight of 189.17 g/mol. Its IUPAC name is (quinoxalin-2-ylamino) formate.

Molecular Properties

Compound Name(quinoxalin-2-ylamino) formate
PubChem CID89003133
Molecular FormulaC9H7N3O2
Molecular Weight189.17 g/mol
Exact Mass189.05
IUPAC Name(quinoxalin-2-ylamino) formate
SMILESO=CONc1cnc2ccccc2n1
InChIInChI=1S/C9H7N3O2/c13-6-14-12-9-5-10-7-3-1-2-4-8(7)11-9/h1-6H,(H,11,12)
InChIKeySPCSIUIPRZEEFN-UHFFFAOYSA-N
XLogP1.13
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (quinoxalin-2-ylamino) formate?
The IUPAC name of (quinoxalin-2-ylamino) formate (CID 89003133) is (quinoxalin-2-ylamino) formate.
What is the SMILES notation for (quinoxalin-2-ylamino) formate?
The canonical SMILES for (quinoxalin-2-ylamino) formate is O=CONc1cnc2ccccc2n1.
What is the InChIKey of (quinoxalin-2-ylamino) formate?
The InChIKey is SPCSIUIPRZEEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2/c13-6-14-12-9-5-10-7-3-1-2-4-8(7)11-9/h1-6H,(H,11,12).
What are the key properties of (quinoxalin-2-ylamino) formate?
(quinoxalin-2-ylamino) formate has a molecular weight of 189.17 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (quinoxalin-2-ylamino) formate is sourced from PubChem (CID 89003133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).