1-ethyl-3-methyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoquinoxaline-6-carboxamide

C18H19N3O3 — CID 53058290

IUPAC1-ethyl-3-methyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoquinoxaline-6-carboxamide
SMILESCCn1c(=O)c(C)nc2cc(C(=O)NCc3ccc(C)o3)ccc21
InChIInChI=1S/C18H19N3O3/c1-4-21-16-8-6-13(9-15(16)20-12(3)18(21)23)17(22)19-10-14-7-5-11(2)24-14/h5-9H,4,10H2,1-3H3,(H,19,22)
InChIKeyVNWNLQCAHYCIEB-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.56
Rot. Bonds4

About 1-ethyl-3-methyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoquinoxaline-6-carboxamide

1-ethyl-3-methyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoquinoxaline-6-carboxamide (PubChem CID 53058290) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-ethyl-3-methyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoquinoxaline-6-carboxamide.

Molecular Properties

Compound Name1-ethyl-3-methyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoquinoxaline-6-carboxamide
PubChem CID53058290
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name1-ethyl-3-methyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoquinoxaline-6-carboxamide
SMILESCCn1c(=O)c(C)nc2cc(C(=O)NCc3ccc(C)o3)ccc21
InChIInChI=1S/C18H19N3O3/c1-4-21-16-8-6-13(9-15(16)20-12(3)18(21)23)17(22)19-10-14-7-5-11(2)24-14/h5-9H,4,10H2,1-3H3,(H,19,22)
InChIKeyVNWNLQCAHYCIEB-UHFFFAOYSA-N
XLogP2.56
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoxaline-6-carboxamide
CID 9455424
1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylic acid
CID 4962182
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 31563164
1-ethyl-2,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]indole-5-carboxamide
CID 20940113
1-ethyl-3-methyl-2-oxo-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]quinoxaline-6-carboxamide
CID 31954457
1-methyl-N-[(5-methylfuran-2-yl)methyl]benzotriazole-5-carboxamide
CID 53051567
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 34306532
1-ethyl-3-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)quinoxaline-6-carboxamide
CID 24655019
1-ethyl-3-methyl-2-oxo-N-pentan-2-ylquinoxaline-6-carboxamide
CID 46684618
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 30094301
1-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 53058291
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 30830104

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoquinoxaline-6-carboxamide?
The IUPAC name of 1-ethyl-3-methyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoquinoxaline-6-carboxamide (CID 53058290) is 1-ethyl-3-methyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoquinoxaline-6-carboxamide.
What is the SMILES notation for 1-ethyl-3-methyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoquinoxaline-6-carboxamide?
The canonical SMILES for 1-ethyl-3-methyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoquinoxaline-6-carboxamide is CCn1c(=O)c(C)nc2cc(C(=O)NCc3ccc(C)o3)ccc21.
What is the InChIKey of 1-ethyl-3-methyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoquinoxaline-6-carboxamide?
The InChIKey is VNWNLQCAHYCIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-4-21-16-8-6-13(9-15(16)20-12(3)18(21)23)17(22)19-10-14-7-5-11(2)24-14/h5-9H,4,10H2,1-3H3,(H,19,22).
What are the key properties of 1-ethyl-3-methyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoquinoxaline-6-carboxamide?
1-ethyl-3-methyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoquinoxaline-6-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoquinoxaline-6-carboxamide is sourced from PubChem (CID 53058290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).