2-ethyl-N-[(7R)-7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]butanamide

C21H25N3O2 — CID 2022304

About 2-ethyl-N-[(7R)-7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]butanamide

2-ethyl-N-[(7R)-7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]butanamide (PubChem CID 2022304) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-ethyl-N-[(7R)-7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]butanamide.

Molecular Properties

• Compound Name: 2-ethyl-N-[(7R)-7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]butanamide
• PubChem CID: 2022304
• Molecular Formula: C21H25N3O2
• Molecular Weight: 351.45 g/mol
• Exact Mass: 351.19
• IUPAC Name: 2-ethyl-N-[(7R)-7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]butanamide
• SMILES: CCC(CC)C(=O)Nc1ncc2c(n1)C[C@@H](c1ccc(C)cc1)CC2=O
• InChI: InChI=1S/C21H25N3O2/c1-4-14(5-2)20(26)24-21-22-12-17-18(23-21)10-16(11-19(17)25)15-8-6-13(3)7-9-15/h6-9,12,14,16H,4-5,10-11H2,1-3H3,(H,22,23,24,26)/t16-/m1/s1
• InChIKey: ZBBPLHRCHPBVOH-MRXNPFEDSA-N
• XLogP: 4.07
• TPSA: 71.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.45
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(7R)-7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]butanamide?

The IUPAC name of 2-ethyl-N-[(7R)-7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]butanamide (CID 2022304) is 2-ethyl-N-[(7R)-7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]butanamide.

What is the SMILES notation for 2-ethyl-N-[(7R)-7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]butanamide?

The canonical SMILES for 2-ethyl-N-[(7R)-7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]butanamide is CCC(CC)C(=O)Nc1ncc2c(n1)C[C@@H](c1ccc(C)cc1)CC2=O.

What is the InChIKey of 2-ethyl-N-[(7R)-7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]butanamide?

The InChIKey is ZBBPLHRCHPBVOH-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-4-14(5-2)20(26)24-21-22-12-17-18(23-21)10-16(11-19(17)25)15-8-6-13(3)7-9-15/h6-9,12,14,16H,4-5,10-11H2,1-3H3,(H,22,23,24,26)/t16-/m1/s1.

What are the key properties of 2-ethyl-N-[(7R)-7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]butanamide?

2-ethyl-N-[(7R)-7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]butanamide has a molecular weight of 351.45 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-N-[(7R)-7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]butanamide is sourced from PubChem (CID 2022304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).