2,3-diethyl-N-[(5-methylfuran-2-yl)methyl]quinoxaline-6-carboxamide

C19H21N3O2 — CID 22588111

IUPAC2,3-diethyl-N-[(5-methylfuran-2-yl)methyl]quinoxaline-6-carboxamide
SMILESCCc1nc2ccc(C(=O)NCc3ccc(C)o3)cc2nc1CC
InChIInChI=1S/C19H21N3O2/c1-4-15-16(5-2)22-18-10-13(7-9-17(18)21-15)19(23)20-11-14-8-6-12(3)24-14/h6-10H,4-5,11H2,1-3H3,(H,20,23)
InChIKeySETNGIVYONTGNZ-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.59
Rot. Bonds5

About 2,3-diethyl-N-[(5-methylfuran-2-yl)methyl]quinoxaline-6-carboxamide

2,3-diethyl-N-[(5-methylfuran-2-yl)methyl]quinoxaline-6-carboxamide (PubChem CID 22588111) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2,3-diethyl-N-[(5-methylfuran-2-yl)methyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound Name2,3-diethyl-N-[(5-methylfuran-2-yl)methyl]quinoxaline-6-carboxamide
PubChem CID22588111
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2,3-diethyl-N-[(5-methylfuran-2-yl)methyl]quinoxaline-6-carboxamide
SMILESCCc1nc2ccc(C(=O)NCc3ccc(C)o3)cc2nc1CC
InChIInChI=1S/C19H21N3O2/c1-4-15-16(5-2)22-18-10-13(7-9-17(18)21-15)19(23)20-11-14-8-6-12(3)24-14/h6-10H,4-5,11H2,1-3H3,(H,20,23)
InChIKeySETNGIVYONTGNZ-UHFFFAOYSA-N
XLogP3.59
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-N-[(5-methylfuran-2-yl)methyl]quinoxaline-6-carboxamide?
The IUPAC name of 2,3-diethyl-N-[(5-methylfuran-2-yl)methyl]quinoxaline-6-carboxamide (CID 22588111) is 2,3-diethyl-N-[(5-methylfuran-2-yl)methyl]quinoxaline-6-carboxamide.
What is the SMILES notation for 2,3-diethyl-N-[(5-methylfuran-2-yl)methyl]quinoxaline-6-carboxamide?
The canonical SMILES for 2,3-diethyl-N-[(5-methylfuran-2-yl)methyl]quinoxaline-6-carboxamide is CCc1nc2ccc(C(=O)NCc3ccc(C)o3)cc2nc1CC.
What is the InChIKey of 2,3-diethyl-N-[(5-methylfuran-2-yl)methyl]quinoxaline-6-carboxamide?
The InChIKey is SETNGIVYONTGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-4-15-16(5-2)22-18-10-13(7-9-17(18)21-15)19(23)20-11-14-8-6-12(3)24-14/h6-10H,4-5,11H2,1-3H3,(H,20,23).
What are the key properties of 2,3-diethyl-N-[(5-methylfuran-2-yl)methyl]quinoxaline-6-carboxamide?
2,3-diethyl-N-[(5-methylfuran-2-yl)methyl]quinoxaline-6-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-N-[(5-methylfuran-2-yl)methyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 22588111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).