2,3-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinoxaline-6-carboxamide

C17H21N3O3 — CID 110357024

IUPAC2,3-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NCCC3(C)OCCO3)cc2nc1C
InChIInChI=1S/C17H21N3O3/c1-11-12(2)20-15-10-13(4-5-14(15)19-11)16(21)18-7-6-17(3)22-8-9-23-17/h4-5,10H,6-9H2,1-3H3,(H,18,21)
InChIKeyOXQKCSXXSBOPMR-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.13
Rot. Bonds4

About 2,3-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinoxaline-6-carboxamide

2,3-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinoxaline-6-carboxamide (PubChem CID 110357024) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2,3-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinoxaline-6-carboxamide
PubChem CID110357024
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2,3-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NCCC3(C)OCCO3)cc2nc1C
InChIInChI=1S/C17H21N3O3/c1-11-12(2)20-15-10-13(4-5-14(15)19-11)16(21)18-7-6-17(3)22-8-9-23-17/h4-5,10H,6-9H2,1-3H3,(H,18,21)
InChIKeyOXQKCSXXSBOPMR-UHFFFAOYSA-N
XLogP2.13
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide
CID 110359284
4-fluoro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide
CID 110359272
4-methyl-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]benzamide
CID 110369745
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-phenylbenzamide
CID 110359324
2,3-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]quinoxaline-6-carboxamide
CID 108542144
3-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide
CID 110359279
2,3-dimethyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]quinoxaline-6-carboxamide
CID 72852469
N-[3-(dimethylamino)propyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 4062520
N-[2-[di(propan-2-yl)amino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 24560136
2-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 75506217
4-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 75522368
N-[2-(4-methoxyphenoxy)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 51232739

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinoxaline-6-carboxamide?
The IUPAC name of 2,3-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinoxaline-6-carboxamide (CID 110357024) is 2,3-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinoxaline-6-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinoxaline-6-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinoxaline-6-carboxamide is Cc1nc2ccc(C(=O)NCCC3(C)OCCO3)cc2nc1C.
What is the InChIKey of 2,3-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinoxaline-6-carboxamide?
The InChIKey is OXQKCSXXSBOPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11-12(2)20-15-10-13(4-5-14(15)19-11)16(21)18-7-6-17(3)22-8-9-23-17/h4-5,10H,6-9H2,1-3H3,(H,18,21).
What are the key properties of 2,3-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinoxaline-6-carboxamide?
2,3-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinoxaline-6-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 2.13, 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-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 110357024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).