2,3-dimethyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]quinoxaline-6-carboxamide

C18H22N4O3 — CID 110744132

IUPAC2,3-dimethyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]quinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NCC3CN(C(C)C)C(=O)O3)cc2nc1C
InChIInChI=1S/C18H22N4O3/c1-10(2)22-9-14(25-18(22)24)8-19-17(23)13-5-6-15-16(7-13)21-12(4)11(3)20-15/h5-7,10,14H,8-9H2,1-4H3,(H,19,23)
InChIKeyJQSSVLWGOQLBQW-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.21
Rot. Bonds4

About 2,3-dimethyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]quinoxaline-6-carboxamide

2,3-dimethyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]quinoxaline-6-carboxamide (PubChem CID 110744132) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2,3-dimethyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]quinoxaline-6-carboxamide
PubChem CID110744132
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name2,3-dimethyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]quinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NCC3CN(C(C)C)C(=O)O3)cc2nc1C
InChIInChI=1S/C18H22N4O3/c1-10(2)22-9-14(25-18(22)24)8-19-17(23)13-5-6-15-16(7-13)21-12(4)11(3)20-15/h5-7,10,14H,8-9H2,1-4H3,(H,19,23)
InChIKeyJQSSVLWGOQLBQW-UHFFFAOYSA-N
XLogP2.21
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]quinoxaline-6-carboxamide?
The IUPAC name of 2,3-dimethyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]quinoxaline-6-carboxamide (CID 110744132) is 2,3-dimethyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]quinoxaline-6-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]quinoxaline-6-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]quinoxaline-6-carboxamide is Cc1nc2ccc(C(=O)NCC3CN(C(C)C)C(=O)O3)cc2nc1C.
What is the InChIKey of 2,3-dimethyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]quinoxaline-6-carboxamide?
The InChIKey is JQSSVLWGOQLBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-10(2)22-9-14(25-18(22)24)8-19-17(23)13-5-6-15-16(7-13)21-12(4)11(3)20-15/h5-7,10,14H,8-9H2,1-4H3,(H,19,23).
What are the key properties of 2,3-dimethyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]quinoxaline-6-carboxamide?
2,3-dimethyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]quinoxaline-6-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 110744132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).