methyl 2-[[2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]thiophene-3-carboxylate

C18H19N3O4S — CID 27404522

IUPACmethyl 2-[[2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)C[C@@H]1Nc2cc(C)c(C)cc2NC1=O
InChIInChI=1S/C18H19N3O4S/c1-9-6-12-13(7-10(9)2)20-16(23)14(19-12)8-15(22)21-17-11(4-5-26-17)18(24)25-3/h4-7,14,19H,8H2,1-3H3,(H,20,23)(H,21,22)/t14-/m0/s1
InChIKeyGGRYIUACAZPWTH-AWEZNQCLSA-N
MW373.43 g/mol
LogP2.91
Rot. Bonds4

About methyl 2-[[2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]thiophene-3-carboxylate

methyl 2-[[2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]thiophene-3-carboxylate (PubChem CID 27404522) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is methyl 2-[[2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]thiophene-3-carboxylate
PubChem CID27404522
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Namemethyl 2-[[2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)C[C@@H]1Nc2cc(C)c(C)cc2NC1=O
InChIInChI=1S/C18H19N3O4S/c1-9-6-12-13(7-10(9)2)20-16(23)14(19-12)8-15(22)21-17-11(4-5-26-17)18(24)25-3/h4-7,14,19H,8H2,1-3H3,(H,20,23)(H,21,22)/t14-/m0/s1
InChIKeyGGRYIUACAZPWTH-AWEZNQCLSA-N
XLogP2.91
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]thiophene-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of methyl 2-[[2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]thiophene-3-carboxylate (CID 27404522) is methyl 2-[[2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[[2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-[[2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]thiophene-3-carboxylate is COC(=O)c1ccsc1NC(=O)C[C@@H]1Nc2cc(C)c(C)cc2NC1=O.
What is the InChIKey of methyl 2-[[2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]thiophene-3-carboxylate?
The InChIKey is GGRYIUACAZPWTH-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-9-6-12-13(7-10(9)2)20-16(23)14(19-12)8-15(22)21-17-11(4-5-26-17)18(24)25-3/h4-7,14,19H,8H2,1-3H3,(H,20,23)(H,21,22)/t14-/m0/s1.
What are the key properties of methyl 2-[[2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]thiophene-3-carboxylate?
methyl 2-[[2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]thiophene-3-carboxylate has a molecular weight of 373.43 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 27404522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).