2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide

C24H25ClN6O2 — CID 135550205

About 2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide

2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide (PubChem CID 135550205) has the molecular formula C24H25ClN6O2 and a molecular weight of 464.96 g/mol. Its IUPAC name is 2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

• Compound Name: 2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
• PubChem CID: 135550205
• Molecular Formula: C24H25ClN6O2
• Molecular Weight: 464.96 g/mol
• Exact Mass: 464.17
• IUPAC Name: 2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
• SMILES: CCN(CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)Cc1nc2cc(Cl)ccc2c(=O)[nH]1
• InChI: InChI=1S/C24H25ClN6O2/c1-4-30(13-21-26-20-12-17(25)10-11-19(20)24(33)27-21)14-22(32)28-23-15(2)29-31(16(23)3)18-8-6-5-7-9-18/h5-12H,4,13-14H2,1-3H3,(H,28,32)(H,26,27,33)
• InChIKey: FDHALMMOUMKRJG-UHFFFAOYSA-N
• XLogP: 3.84
• TPSA: 95.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.96
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?

The IUPAC name of 2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide (CID 135550205) is 2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide.

What is the SMILES notation for 2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?

The canonical SMILES for 2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide is CCN(CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)Cc1nc2cc(Cl)ccc2c(=O)[nH]1.

What is the InChIKey of 2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?

The InChIKey is FDHALMMOUMKRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O2/c1-4-30(13-21-26-20-12-17(25)10-11-19(20)24(33)27-21)14-22(32)28-23-15(2)29-31(16(23)3)18-8-6-5-7-9-18/h5-12H,4,13-14H2,1-3H3,(H,28,32)(H,26,27,33).

What are the key properties of 2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?

2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide has a molecular weight of 464.96 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 135550205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).