3-[(3-methylquinoxalin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one

C16H12N4OS — CID 18123502

IUPAC3-[(3-methylquinoxalin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one
SMILESCc1nc2ccccc2nc1Cn1cnc2ccsc2c1=O
InChIInChI=1S/C16H12N4OS/c1-10-14(19-12-5-3-2-4-11(12)18-10)8-20-9-17-13-6-7-22-15(13)16(20)21/h2-7,9H,8H2,1H3
InChIKeyCVBNOURPKNZAEL-UHFFFAOYSA-N
MW308.37 g/mol
LogP2.76
Rot. Bonds2

About 3-[(3-methylquinoxalin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one

3-[(3-methylquinoxalin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 18123502) has the molecular formula C16H12N4OS and a molecular weight of 308.37 g/mol. Its IUPAC name is 3-[(3-methylquinoxalin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(3-methylquinoxalin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID18123502
Molecular FormulaC16H12N4OS
Molecular Weight308.37 g/mol
Exact Mass308.07
IUPAC Name3-[(3-methylquinoxalin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one
SMILESCc1nc2ccccc2nc1Cn1cnc2ccsc2c1=O
InChIInChI=1S/C16H12N4OS/c1-10-14(19-12-5-3-2-4-11(12)18-10)8-20-9-17-13-6-7-22-15(13)16(20)21/h2-7,9H,8H2,1H3
InChIKeyCVBNOURPKNZAEL-UHFFFAOYSA-N
XLogP2.76
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[(3-methylquinoxalin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 47160423
3-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 33278584
3-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 47058114
3-[(3-amino-2-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 43509260
3-[(2,5-dimethylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 51280236
3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 39013477
3-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 33279473
3-[(4-iodophenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 115650943
3-[(3-chlorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 27065071
3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one
CID 39014426
3-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one
CID 51124152
1-[(3-methylquinoxalin-2-yl)methyl]pyridin-2-one
CID 39967034

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylquinoxalin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[(3-methylquinoxalin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one (CID 18123502) is 3-[(3-methylquinoxalin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(3-methylquinoxalin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[(3-methylquinoxalin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one is Cc1nc2ccccc2nc1Cn1cnc2ccsc2c1=O.
What is the InChIKey of 3-[(3-methylquinoxalin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is CVBNOURPKNZAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4OS/c1-10-14(19-12-5-3-2-4-11(12)18-10)8-20-9-17-13-6-7-22-15(13)16(20)21/h2-7,9H,8H2,1H3.
What are the key properties of 3-[(3-methylquinoxalin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
3-[(3-methylquinoxalin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 308.37 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylquinoxalin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 18123502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).