7-methyl-2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C17H18N4OS — CID 24506874

About 7-methyl-2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

7-methyl-2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 24506874) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 7-methyl-2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

• Compound Name: 7-methyl-2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
• PubChem CID: 24506874
• Molecular Formula: C17H18N4OS
• Molecular Weight: 326.43 g/mol
• Exact Mass: 326.12
• IUPAC Name: 7-methyl-2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
• SMILES: Cc1ccc2c(c1)CCCN2Cc1nn2c(=O)cc(C)nc2s1
• InChI: InChI=1S/C17H18N4OS/c1-11-5-6-14-13(8-11)4-3-7-20(14)10-15-19-21-16(22)9-12(2)18-17(21)23-15/h5-6,8-9H,3-4,7,10H2,1-2H3
• InChIKey: QTPMBTHGBOIBAQ-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 50.50 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	326.43
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?

The IUPAC name of 7-methyl-2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 24506874) is 7-methyl-2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

What is the SMILES notation for 7-methyl-2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?

The canonical SMILES for 7-methyl-2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is Cc1ccc2c(c1)CCCN2Cc1nn2c(=O)cc(C)nc2s1.

What is the InChIKey of 7-methyl-2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?

The InChIKey is QTPMBTHGBOIBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-11-5-6-14-13(8-11)4-3-7-20(14)10-15-19-21-16(22)9-12(2)18-17(21)23-15/h5-6,8-9H,3-4,7,10H2,1-2H3.

What are the key properties of 7-methyl-2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?

7-methyl-2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 326.43 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methyl-2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 24506874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).