2-methyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one

C16H11N5OS — CID 9296302

IUPAC2-methyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one
SMILESCc1nc2sccc2c(=O)n1/N=C\c1cnc2ccccc2n1
InChIInChI=1S/C16H11N5OS/c1-10-19-15-12(6-7-23-15)16(22)21(10)18-9-11-8-17-13-4-2-3-5-14(13)20-11/h2-9H,1H3/b18-9-
InChIKeyHUKOVAKYVJIIKM-NVMNQCDNSA-N
MW321.37 g/mol
LogP2.59
Rot. Bonds2

About 2-methyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one

2-methyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one (PubChem CID 9296302) has the molecular formula C16H11N5OS and a molecular weight of 321.37 g/mol. Its IUPAC name is 2-methyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one
PubChem CID9296302
Molecular FormulaC16H11N5OS
Molecular Weight321.37 g/mol
Exact Mass321.07
IUPAC Name2-methyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one
SMILESCc1nc2sccc2c(=O)n1/N=C\c1cnc2ccccc2n1
InChIInChI=1S/C16H11N5OS/c1-10-19-15-12(6-7-23-15)16(22)21(10)18-9-11-8-17-13-4-2-3-5-14(13)20-11/h2-9H,1H3/b18-9-
InChIKeyHUKOVAKYVJIIKM-NVMNQCDNSA-N
XLogP2.59
TPSA73.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

7-chloro-2-methyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]quinazolin-4-one
CID 9294801
3-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methylthieno[2,3-d]pyrimidin-4-one
CID 135729427
3-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-methylthieno[2,3-d]pyrimidin-4-one
CID 135729444
3-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-methylthieno[2,3-d]pyrimidin-4-one
CID 135729426
3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylthieno[2,3-d]pyrimidin-4-one
CID 135729419
2-methyl-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one
CID 23351999
2-[(Z)-quinoxalin-2-ylmethylideneamino]isoindole-1,3-dione
CID 9212085
3-[(4-butoxy-3-ethoxyphenyl)methylideneamino]-2-methylthieno[2,3-d]pyrimidin-4-one
CID 23352028
3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 765405
2-methyl-3-(pyridin-3-ylmethylideneamino)quinazolin-4-one
CID 882703
3-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-methylthieno[2,3-d]pyrimidin-4-one
CID 135729425
3-[(E)-(2-bromophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6908041

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-methyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one (CID 9296302) is 2-methyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-methyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one is Cc1nc2sccc2c(=O)n1/N=C\c1cnc2ccccc2n1.
What is the InChIKey of 2-methyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is HUKOVAKYVJIIKM-NVMNQCDNSA-N. The full InChI is InChI=1S/C16H11N5OS/c1-10-19-15-12(6-7-23-15)16(22)21(10)18-9-11-8-17-13-4-2-3-5-14(13)20-11/h2-9H,1H3/b18-9-.
What are the key properties of 2-methyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one?
2-methyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 321.37 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 9296302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).