2-[(3-ethoxyquinoxalin-2-yl)amino]-4,5-diphenylfuran-3-carbonitrile

C27H20N4O2 — CID 2324827

IUPAC2-[(3-ethoxyquinoxalin-2-yl)amino]-4,5-diphenylfuran-3-carbonitrile
SMILESCCOc1nc2ccccc2nc1Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N
InChIInChI=1S/C27H20N4O2/c1-2-32-27-25(29-21-15-9-10-16-22(21)30-27)31-26-20(17-28)23(18-11-5-3-6-12-18)24(33-26)19-13-7-4-8-14-19/h3-16H,2H2,1H3,(H,29,31)
InChIKeyTZQBADPCDPPUGH-UHFFFAOYSA-N
MW432.48 g/mol
LogP6.57
Rot. Bonds6

About 2-[(3-ethoxyquinoxalin-2-yl)amino]-4,5-diphenylfuran-3-carbonitrile

2-[(3-ethoxyquinoxalin-2-yl)amino]-4,5-diphenylfuran-3-carbonitrile (PubChem CID 2324827) has the molecular formula C27H20N4O2 and a molecular weight of 432.48 g/mol. Its IUPAC name is 2-[(3-ethoxyquinoxalin-2-yl)amino]-4,5-diphenylfuran-3-carbonitrile.

Molecular Properties

Compound Name2-[(3-ethoxyquinoxalin-2-yl)amino]-4,5-diphenylfuran-3-carbonitrile
PubChem CID2324827
Molecular FormulaC27H20N4O2
Molecular Weight432.48 g/mol
Exact Mass432.16
IUPAC Name2-[(3-ethoxyquinoxalin-2-yl)amino]-4,5-diphenylfuran-3-carbonitrile
SMILESCCOc1nc2ccccc2nc1Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N
InChIInChI=1S/C27H20N4O2/c1-2-32-27-25(29-21-15-9-10-16-22(21)30-27)31-26-20(17-28)23(18-11-5-3-6-12-18)24(33-26)19-13-7-4-8-14-19/h3-16H,2H2,1H3,(H,29,31)
InChIKeyTZQBADPCDPPUGH-UHFFFAOYSA-N
XLogP6.57
TPSA83.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.48
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxyquinoxalin-2-yl)amino]-4,5-diphenylfuran-3-carbonitrile?
The IUPAC name of 2-[(3-ethoxyquinoxalin-2-yl)amino]-4,5-diphenylfuran-3-carbonitrile (CID 2324827) is 2-[(3-ethoxyquinoxalin-2-yl)amino]-4,5-diphenylfuran-3-carbonitrile.
What is the SMILES notation for 2-[(3-ethoxyquinoxalin-2-yl)amino]-4,5-diphenylfuran-3-carbonitrile?
The canonical SMILES for 2-[(3-ethoxyquinoxalin-2-yl)amino]-4,5-diphenylfuran-3-carbonitrile is CCOc1nc2ccccc2nc1Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N.
What is the InChIKey of 2-[(3-ethoxyquinoxalin-2-yl)amino]-4,5-diphenylfuran-3-carbonitrile?
The InChIKey is TZQBADPCDPPUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N4O2/c1-2-32-27-25(29-21-15-9-10-16-22(21)30-27)31-26-20(17-28)23(18-11-5-3-6-12-18)24(33-26)19-13-7-4-8-14-19/h3-16H,2H2,1H3,(H,29,31).
What are the key properties of 2-[(3-ethoxyquinoxalin-2-yl)amino]-4,5-diphenylfuran-3-carbonitrile?
2-[(3-ethoxyquinoxalin-2-yl)amino]-4,5-diphenylfuran-3-carbonitrile has a molecular weight of 432.48 g/mol, XLogP of 6.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxyquinoxalin-2-yl)amino]-4,5-diphenylfuran-3-carbonitrile is sourced from PubChem (CID 2324827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).