3-(3-methoxyquinoxalin-5-yl)prop-2-enoic acid

C12H10N2O3 — CID 66737389

IUPAC3-(3-methoxyquinoxalin-5-yl)prop-2-enoic acid
SMILESCOc1cnc2cccc(C=CC(=O)O)c2n1
InChIInChI=1S/C12H10N2O3/c1-17-10-7-13-9-4-2-3-8(12(9)14-10)5-6-11(15)16/h2-7H,1H3,(H,15,16)
InChIKeyRKGKKXQHLUWDRJ-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.74
Rot. Bonds3

About 3-(3-methoxyquinoxalin-5-yl)prop-2-enoic acid

3-(3-methoxyquinoxalin-5-yl)prop-2-enoic acid (PubChem CID 66737389) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 3-(3-methoxyquinoxalin-5-yl)prop-2-enoic acid.

Molecular Properties

Compound Name3-(3-methoxyquinoxalin-5-yl)prop-2-enoic acid
PubChem CID66737389
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name3-(3-methoxyquinoxalin-5-yl)prop-2-enoic acid
SMILESCOc1cnc2cccc(C=CC(=O)O)c2n1
InChIInChI=1S/C12H10N2O3/c1-17-10-7-13-9-4-2-3-8(12(9)14-10)5-6-11(15)16/h2-7H,1H3,(H,15,16)
InChIKeyRKGKKXQHLUWDRJ-UHFFFAOYSA-N
XLogP1.74
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyquinoxalin-5-yl)prop-2-enoic acid?
The IUPAC name of 3-(3-methoxyquinoxalin-5-yl)prop-2-enoic acid (CID 66737389) is 3-(3-methoxyquinoxalin-5-yl)prop-2-enoic acid.
What is the SMILES notation for 3-(3-methoxyquinoxalin-5-yl)prop-2-enoic acid?
The canonical SMILES for 3-(3-methoxyquinoxalin-5-yl)prop-2-enoic acid is COc1cnc2cccc(C=CC(=O)O)c2n1.
What is the InChIKey of 3-(3-methoxyquinoxalin-5-yl)prop-2-enoic acid?
The InChIKey is RKGKKXQHLUWDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-17-10-7-13-9-4-2-3-8(12(9)14-10)5-6-11(15)16/h2-7H,1H3,(H,15,16).
What are the key properties of 3-(3-methoxyquinoxalin-5-yl)prop-2-enoic acid?
3-(3-methoxyquinoxalin-5-yl)prop-2-enoic acid has a molecular weight of 230.22 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyquinoxalin-5-yl)prop-2-enoic acid is sourced from PubChem (CID 66737389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).