N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-(ethoxymethyl)benzamide

C24H27N5O2 — CID 110238804

About N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-(ethoxymethyl)benzamide

N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-(ethoxymethyl)benzamide (PubChem CID 110238804) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-(ethoxymethyl)benzamide.

Molecular Properties

• Compound Name: N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-(ethoxymethyl)benzamide
• PubChem CID: 110238804
• Molecular Formula: C24H27N5O2
• Molecular Weight: 417.51 g/mol
• Exact Mass: 417.22
• IUPAC Name: N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-(ethoxymethyl)benzamide
• SMILES: CCOCc1ccc(C(=O)NC2CC(C)(C)Cc3nc(-c4cnccn4)ncc32)cc1
• InChI: InChI=1S/C24H27N5O2/c1-4-31-15-16-5-7-17(8-6-16)23(30)29-20-12-24(2,3)11-19-18(20)13-27-22(28-19)21-14-25-9-10-26-21/h5-10,13-14,20H,4,11-12,15H2,1-3H3,(H,29,30)
• InChIKey: NMPSNXYBYLIWCS-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 89.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.51
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-(ethoxymethyl)benzamide?

The IUPAC name of N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-(ethoxymethyl)benzamide (CID 110238804) is N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-(ethoxymethyl)benzamide.

What is the SMILES notation for N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-(ethoxymethyl)benzamide?

The canonical SMILES for N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-(ethoxymethyl)benzamide is CCOCc1ccc(C(=O)NC2CC(C)(C)Cc3nc(-c4cnccn4)ncc32)cc1.

What is the InChIKey of N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-(ethoxymethyl)benzamide?

The InChIKey is NMPSNXYBYLIWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-4-31-15-16-5-7-17(8-6-16)23(30)29-20-12-24(2,3)11-19-18(20)13-27-22(28-19)21-14-25-9-10-26-21/h5-10,13-14,20H,4,11-12,15H2,1-3H3,(H,29,30).

What are the key properties of N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-(ethoxymethyl)benzamide?

N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-(ethoxymethyl)benzamide has a molecular weight of 417.51 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-(ethoxymethyl)benzamide is sourced from PubChem (CID 110238804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).