3-quinoxalin-2-ylchromen-2-one

C17H10N2O2 — CID 7090569

IUPAC3-quinoxalin-2-ylchromen-2-one
SMILESO=c1oc2ccccc2cc1-c1cnc2ccccc2n1
InChIInChI=1S/C17H10N2O2/c20-17-12(9-11-5-1-4-8-16(11)21-17)15-10-18-13-6-2-3-7-14(13)19-15/h1-10H
InChIKeyRXTOFCZFFYSVCN-UHFFFAOYSA-N
MW274.28 g/mol
LogP3.40
Rot. Bonds1

About 3-quinoxalin-2-ylchromen-2-one

3-quinoxalin-2-ylchromen-2-one (PubChem CID 7090569) has the molecular formula C17H10N2O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is 3-quinoxalin-2-ylchromen-2-one.

Molecular Properties

Compound Name3-quinoxalin-2-ylchromen-2-one
PubChem CID7090569
Molecular FormulaC17H10N2O2
Molecular Weight274.28 g/mol
Exact Mass274.07
IUPAC Name3-quinoxalin-2-ylchromen-2-one
SMILESO=c1oc2ccccc2cc1-c1cnc2ccccc2n1
InChIInChI=1S/C17H10N2O2/c20-17-12(9-11-5-1-4-8-16(11)21-17)15-10-18-13-6-2-3-7-14(13)19-15/h1-10H
InChIKeyRXTOFCZFFYSVCN-UHFFFAOYSA-N
XLogP3.40
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-quinoxalin-2-ylchromen-2-one?
The IUPAC name of 3-quinoxalin-2-ylchromen-2-one (CID 7090569) is 3-quinoxalin-2-ylchromen-2-one.
What is the SMILES notation for 3-quinoxalin-2-ylchromen-2-one?
The canonical SMILES for 3-quinoxalin-2-ylchromen-2-one is O=c1oc2ccccc2cc1-c1cnc2ccccc2n1.
What is the InChIKey of 3-quinoxalin-2-ylchromen-2-one?
The InChIKey is RXTOFCZFFYSVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2O2/c20-17-12(9-11-5-1-4-8-16(11)21-17)15-10-18-13-6-2-3-7-14(13)19-15/h1-10H.
What are the key properties of 3-quinoxalin-2-ylchromen-2-one?
3-quinoxalin-2-ylchromen-2-one has a molecular weight of 274.28 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-quinoxalin-2-ylchromen-2-one is sourced from PubChem (CID 7090569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).