6-benzyl-5-[1-(3,4-dihydro-2H-quinoxalin-1-yl)propyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-one

C23H23N5OS — CID 10237948

IUPAC6-benzyl-5-[1-(3,4-dihydro-2H-quinoxalin-1-yl)propyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-one
SMILESCCC(c1nc2scnc2c(=O)n1Cc1ccccc1)N1CCNc2ccccc21
InChIInChI=1S/C23H23N5OS/c1-2-18(27-13-12-24-17-10-6-7-11-19(17)27)21-26-22-20(25-15-30-22)23(29)28(21)14-16-8-4-3-5-9-16/h3-11,15,18,24H,2,12-14H2,1H3
InChIKeyIENJGPUYPXUVNL-UHFFFAOYSA-N
MW417.54 g/mol
LogP4.28
Rot. Bonds5

About 6-benzyl-5-[1-(3,4-dihydro-2H-quinoxalin-1-yl)propyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-one

6-benzyl-5-[1-(3,4-dihydro-2H-quinoxalin-1-yl)propyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-one (PubChem CID 10237948) has the molecular formula C23H23N5OS and a molecular weight of 417.54 g/mol. Its IUPAC name is 6-benzyl-5-[1-(3,4-dihydro-2H-quinoxalin-1-yl)propyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-benzyl-5-[1-(3,4-dihydro-2H-quinoxalin-1-yl)propyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-one
PubChem CID10237948
Molecular FormulaC23H23N5OS
Molecular Weight417.54 g/mol
Exact Mass417.16
IUPAC Name6-benzyl-5-[1-(3,4-dihydro-2H-quinoxalin-1-yl)propyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-one
SMILESCCC(c1nc2scnc2c(=O)n1Cc1ccccc1)N1CCNc2ccccc21
InChIInChI=1S/C23H23N5OS/c1-2-18(27-13-12-24-17-10-6-7-11-19(17)27)21-26-22-20(25-15-30-22)23(29)28(21)14-16-8-4-3-5-9-16/h3-11,15,18,24H,2,12-14H2,1H3
InChIKeyIENJGPUYPXUVNL-UHFFFAOYSA-N
XLogP4.28
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.54
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-benzyl-5-[1-(3,4-dihydro-2H-quinoxalin-1-yl)propyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-one with MolForge

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Related Compounds

6-benzyl-2-chloro-5-(1-piperazin-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 10194350
5-[1-[2-aminoethyl-[(4-fluorophenyl)methyl]amino]propyl]-6-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 10195168
2-[4-[1-(3-benzyl-4-oxothieno[2,3-d]pyrimidin-2-yl)propyl]piperazin-1-yl]acetic acid
CID 10216586
3-benzyl-2-[1-[3-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-one
CID 10238579
5-[1-[2-aminoethyl-[(6-chloro-3-pyridinyl)methyl]amino]propyl]-6-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 10174019
3-benzyl-2-[1-[3-[2-oxo-2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethyl]piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-one
CID 10153172
3-benzyl-6-fluoro-2-[1-(4-methylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-one
CID 10237664
4-heptan-3-yl-2,3-dihydro-1H-quinoxaline
CID 139398203
2-[1-(4-methylpiperazin-1-yl)propyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-one
CID 10126660
3-benzyl-2-[1-[4-(cyclohexanecarbonyl)piperazin-1-yl]propyl]quinazolin-4-one
CID 42714908
3-benzyl-2-[1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 10288263
3-benzyl-2-[2-cyclopropyl-1-(4-methylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 10173102

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-5-[1-(3,4-dihydro-2H-quinoxalin-1-yl)propyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The IUPAC name of 6-benzyl-5-[1-(3,4-dihydro-2H-quinoxalin-1-yl)propyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-one (CID 10237948) is 6-benzyl-5-[1-(3,4-dihydro-2H-quinoxalin-1-yl)propyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-one.
What is the SMILES notation for 6-benzyl-5-[1-(3,4-dihydro-2H-quinoxalin-1-yl)propyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The canonical SMILES for 6-benzyl-5-[1-(3,4-dihydro-2H-quinoxalin-1-yl)propyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-one is CCC(c1nc2scnc2c(=O)n1Cc1ccccc1)N1CCNc2ccccc21.
What is the InChIKey of 6-benzyl-5-[1-(3,4-dihydro-2H-quinoxalin-1-yl)propyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The InChIKey is IENJGPUYPXUVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5OS/c1-2-18(27-13-12-24-17-10-6-7-11-19(17)27)21-26-22-20(25-15-30-22)23(29)28(21)14-16-8-4-3-5-9-16/h3-11,15,18,24H,2,12-14H2,1H3.
What are the key properties of 6-benzyl-5-[1-(3,4-dihydro-2H-quinoxalin-1-yl)propyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
6-benzyl-5-[1-(3,4-dihydro-2H-quinoxalin-1-yl)propyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-one has a molecular weight of 417.54 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-5-[1-(3,4-dihydro-2H-quinoxalin-1-yl)propyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-one is sourced from PubChem (CID 10237948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).