2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C18H22N6O2 — CID 135783121

About 2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 135783121) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

• Compound Name: 2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
• PubChem CID: 135783121
• Molecular Formula: C18H22N6O2
• Molecular Weight: 354.41 g/mol
• Exact Mass: 354.18
• IUPAC Name: 2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
• SMILES: Cc1nn(C)c(C)c1NC(=O)CN(C)Cc1nc2ccccc2c(=O)[nH]1
• InChI: InChI=1S/C18H22N6O2/c1-11-17(12(2)24(4)22-11)21-16(25)10-23(3)9-15-19-14-8-6-5-7-13(14)18(26)20-15/h5-8H,9-10H2,1-4H3,(H,21,25)(H,19,20,26)
• InChIKey: URPZRGBPVXRHFU-UHFFFAOYSA-N
• XLogP: 1.34
• TPSA: 95.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.41
LogP ≤ 5	1.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?

The IUPAC name of 2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 135783121) is 2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

What is the SMILES notation for 2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?

The canonical SMILES for 2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1NC(=O)CN(C)Cc1nc2ccccc2c(=O)[nH]1.

What is the InChIKey of 2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?

The InChIKey is URPZRGBPVXRHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-11-17(12(2)24(4)22-11)21-16(25)10-23(3)9-15-19-14-8-6-5-7-13(14)18(26)20-15/h5-8H,9-10H2,1-4H3,(H,21,25)(H,19,20,26).

What are the key properties of 2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?

2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 354.41 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 135783121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).