N-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide

C20H21N5O2S — CID 137436427

About N-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide

N-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide (PubChem CID 137436427) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is N-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide.

Molecular Properties

• Compound Name: N-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide
• PubChem CID: 137436427
• Molecular Formula: C20H21N5O2S
• Molecular Weight: 395.49 g/mol
• Exact Mass: 395.14
• IUPAC Name: N-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide
• SMILES: CSc1ccccc1C(=O)Nc1cc(C)nn1-c1nc2c(c(=O)[nH]1)CCCC2
• InChI: InChI=1S/C20H21N5O2S/c1-12-11-17(22-19(27)14-8-4-6-10-16(14)28-2)25(24-12)20-21-15-9-5-3-7-13(15)18(26)23-20/h4,6,8,10-11H,3,5,7,9H2,1-2H3,(H,22,27)(H,21,23,26)
• InChIKey: FUJYUQREPNDQOS-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 92.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.49
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide?

The IUPAC name of N-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide (CID 137436427) is N-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide.

What is the SMILES notation for N-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide?

The canonical SMILES for N-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)Nc1cc(C)nn1-c1nc2c(c(=O)[nH]1)CCCC2.

What is the InChIKey of N-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide?

The InChIKey is FUJYUQREPNDQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S/c1-12-11-17(22-19(27)14-8-4-6-10-16(14)28-2)25(24-12)20-21-15-9-5-3-7-13(15)18(26)23-20/h4,6,8,10-11H,3,5,7,9H2,1-2H3,(H,22,27)(H,21,23,26).

What are the key properties of N-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide?

N-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide has a molecular weight of 395.49 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 137436427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).