2-methyl-N-[2-oxo-2-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]furan-3-carboxamide

C19H23N3O3 — CID 71864173

IUPAC2-methyl-N-[2-oxo-2-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]furan-3-carboxamide
SMILESCc1occc1C(=O)NCC(=O)N1CC(C(C)C)Nc2ccccc21
InChIInChI=1S/C19H23N3O3/c1-12(2)16-11-22(17-7-5-4-6-15(17)21-16)18(23)10-20-19(24)14-8-9-25-13(14)3/h4-9,12,16,21H,10-11H2,1-3H3,(H,20,24)
InChIKeyRTGQGNSVHCFQQA-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.80
Rot. Bonds4

About 2-methyl-N-[2-oxo-2-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]furan-3-carboxamide

2-methyl-N-[2-oxo-2-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]furan-3-carboxamide (PubChem CID 71864173) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-methyl-N-[2-oxo-2-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-oxo-2-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]furan-3-carboxamide
PubChem CID71864173
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2-methyl-N-[2-oxo-2-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]furan-3-carboxamide
SMILESCc1occc1C(=O)NCC(=O)N1CC(C(C)C)Nc2ccccc21
InChIInChI=1S/C19H23N3O3/c1-12(2)16-11-22(17-7-5-4-6-15(17)21-16)18(23)10-20-19(24)14-8-9-25-13(14)3/h4-9,12,16,21H,10-11H2,1-3H3,(H,20,24)
InChIKeyRTGQGNSVHCFQQA-UHFFFAOYSA-N
XLogP2.80
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-oxo-2-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[2-oxo-2-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]furan-3-carboxamide (CID 71864173) is 2-methyl-N-[2-oxo-2-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-oxo-2-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[2-oxo-2-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]furan-3-carboxamide is Cc1occc1C(=O)NCC(=O)N1CC(C(C)C)Nc2ccccc21.
What is the InChIKey of 2-methyl-N-[2-oxo-2-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]furan-3-carboxamide?
The InChIKey is RTGQGNSVHCFQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-12(2)16-11-22(17-7-5-4-6-15(17)21-16)18(23)10-20-19(24)14-8-9-25-13(14)3/h4-9,12,16,21H,10-11H2,1-3H3,(H,20,24).
What are the key properties of 2-methyl-N-[2-oxo-2-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]furan-3-carboxamide?
2-methyl-N-[2-oxo-2-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]furan-3-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-oxo-2-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]furan-3-carboxamide is sourced from PubChem (CID 71864173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).