(7-fluoro-3-methoxyquinoxalin-2-yl)carbamic acid

C10H8FN3O3 — CID 123860282

IUPAC(7-fluoro-3-methoxyquinoxalin-2-yl)carbamic acid
SMILESCOc1nc2ccc(F)cc2nc1NC(=O)O
InChIInChI=1S/C10H8FN3O3/c1-17-9-8(14-10(15)16)12-7-4-5(11)2-3-6(7)13-9/h2-4H,1H3,(H,12,14)(H,15,16)
InChIKeyVVABVRQELVEFAI-UHFFFAOYSA-N
MW237.19 g/mol
LogP1.87
Rot. Bonds2

About (7-fluoro-3-methoxyquinoxalin-2-yl)carbamic acid

(7-fluoro-3-methoxyquinoxalin-2-yl)carbamic acid (PubChem CID 123860282) has the molecular formula C10H8FN3O3 and a molecular weight of 237.19 g/mol. Its IUPAC name is (7-fluoro-3-methoxyquinoxalin-2-yl)carbamic acid.

Molecular Properties

Compound Name(7-fluoro-3-methoxyquinoxalin-2-yl)carbamic acid
PubChem CID123860282
Molecular FormulaC10H8FN3O3
Molecular Weight237.19 g/mol
Exact Mass237.05
IUPAC Name(7-fluoro-3-methoxyquinoxalin-2-yl)carbamic acid
SMILESCOc1nc2ccc(F)cc2nc1NC(=O)O
InChIInChI=1S/C10H8FN3O3/c1-17-9-8(14-10(15)16)12-7-4-5(11)2-3-6(7)13-9/h2-4H,1H3,(H,12,14)(H,15,16)
InChIKeyVVABVRQELVEFAI-UHFFFAOYSA-N
XLogP1.87
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.19
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7-fluoro-3-methoxyquinoxalin-2-yl)carbamic acid?
The IUPAC name of (7-fluoro-3-methoxyquinoxalin-2-yl)carbamic acid (CID 123860282) is (7-fluoro-3-methoxyquinoxalin-2-yl)carbamic acid.
What is the SMILES notation for (7-fluoro-3-methoxyquinoxalin-2-yl)carbamic acid?
The canonical SMILES for (7-fluoro-3-methoxyquinoxalin-2-yl)carbamic acid is COc1nc2ccc(F)cc2nc1NC(=O)O.
What is the InChIKey of (7-fluoro-3-methoxyquinoxalin-2-yl)carbamic acid?
The InChIKey is VVABVRQELVEFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O3/c1-17-9-8(14-10(15)16)12-7-4-5(11)2-3-6(7)13-9/h2-4H,1H3,(H,12,14)(H,15,16).
What are the key properties of (7-fluoro-3-methoxyquinoxalin-2-yl)carbamic acid?
(7-fluoro-3-methoxyquinoxalin-2-yl)carbamic acid has a molecular weight of 237.19 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-3-methoxyquinoxalin-2-yl)carbamic acid is sourced from PubChem (CID 123860282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).