(3-quinoxalin-2-ylphenyl) furan-2-carboxylate

C19H12N2O3 — CID 684082

IUPAC(3-quinoxalin-2-ylphenyl) furan-2-carboxylate
SMILESO=C(Oc1cccc(-c2cnc3ccccc3n2)c1)c1ccco1
InChIInChI=1S/C19H12N2O3/c22-19(18-9-4-10-23-18)24-14-6-3-5-13(11-14)17-12-20-15-7-1-2-8-16(15)21-17/h1-12H
InChIKeyMFRVCPSFBTUKFT-UHFFFAOYSA-N
MW316.32 g/mol
LogP4.11
Rot. Bonds3

About (3-quinoxalin-2-ylphenyl) furan-2-carboxylate

(3-quinoxalin-2-ylphenyl) furan-2-carboxylate (PubChem CID 684082) has the molecular formula C19H12N2O3 and a molecular weight of 316.32 g/mol. Its IUPAC name is (3-quinoxalin-2-ylphenyl) furan-2-carboxylate.

Molecular Properties

Compound Name(3-quinoxalin-2-ylphenyl) furan-2-carboxylate
PubChem CID684082
Molecular FormulaC19H12N2O3
Molecular Weight316.32 g/mol
Exact Mass316.08
IUPAC Name(3-quinoxalin-2-ylphenyl) furan-2-carboxylate
SMILESO=C(Oc1cccc(-c2cnc3ccccc3n2)c1)c1ccco1
InChIInChI=1S/C19H12N2O3/c22-19(18-9-4-10-23-18)24-14-6-3-5-13(11-14)17-12-20-15-7-1-2-8-16(15)21-17/h1-12H
InChIKeyMFRVCPSFBTUKFT-UHFFFAOYSA-N
XLogP4.11
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Methylphenyl)-2-(3-quinoxalin-2-ylphenoxy)ethanone
CID 1979873
N-[3-(2-quinoxalinyl)phenyl]-2-furamide
CID 1485419
(4-Quinoxalin-2-ylphenyl) furan-2-carboxylate
CID 683777
Quinoxaline-6-carboxylic acid m-tolyl ester
CID 1129974
4-(Quinoxalin-2-yl)phenyl 5-bromofuran-2-carboxylate
CID 1280563
Quinolin-8-yl furan-2-carboxylate
CID 739638
(3-Phenylisoquinolin-4-yl)methyl furan-2-carboxylate
CID 25058405
[3-(3-Methoxyphenyl)isoquinolin-4-yl]methyl furan-2-carboxylate
CID 44142542
1-(4-Fluorophenyl)-2-(4-quinoxalin-2-ylphenoxy)ethanone
CID 1280575
methyl 2-methyl-5-[[(E)-3-quinoxalin-2-ylprop-2-enoyl]oxymethyl]furan-3-carboxylate
CID 2499182
Isoquinolin-1-yl(phenyl)methyl furan-2-carboxylate
CID 3510055
3-[(2-Furoyloxy)amino]quinoline
CID 45105879

Frequently Asked Questions

What is the IUPAC name of (3-quinoxalin-2-ylphenyl) furan-2-carboxylate?
The IUPAC name of (3-quinoxalin-2-ylphenyl) furan-2-carboxylate (CID 684082) is (3-quinoxalin-2-ylphenyl) furan-2-carboxylate.
What is the SMILES notation for (3-quinoxalin-2-ylphenyl) furan-2-carboxylate?
The canonical SMILES for (3-quinoxalin-2-ylphenyl) furan-2-carboxylate is O=C(Oc1cccc(-c2cnc3ccccc3n2)c1)c1ccco1.
What is the InChIKey of (3-quinoxalin-2-ylphenyl) furan-2-carboxylate?
The InChIKey is MFRVCPSFBTUKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O3/c22-19(18-9-4-10-23-18)24-14-6-3-5-13(11-14)17-12-20-15-7-1-2-8-16(15)21-17/h1-12H.
What are the key properties of (3-quinoxalin-2-ylphenyl) furan-2-carboxylate?
(3-quinoxalin-2-ylphenyl) furan-2-carboxylate has a molecular weight of 316.32 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-quinoxalin-2-ylphenyl) furan-2-carboxylate is sourced from PubChem (CID 684082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).