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

C21H25N3O3 — CID 7354512

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

2-ethyl-N-[(7R)-7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]butanamide (PubChem CID 7354512) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-ethyl-N-[(7R)-7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]butanamide.

Molecular Properties

• Compound Name: 2-ethyl-N-[(7R)-7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]butanamide
• PubChem CID: 7354512
• Molecular Formula: C21H25N3O3
• Molecular Weight: 367.45 g/mol
• Exact Mass: 367.19
• IUPAC Name: 2-ethyl-N-[(7R)-7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]butanamide
• SMILES: CCC(CC)C(=O)Nc1ncc2c(n1)C[C@@H](c1ccc(OC)cc1)CC2=O
• InChI: InChI=1S/C21H25N3O3/c1-4-13(5-2)20(26)24-21-22-12-17-18(23-21)10-15(11-19(17)25)14-6-8-16(27-3)9-7-14/h6-9,12-13,15H,4-5,10-11H2,1-3H3,(H,22,23,24,26)/t15-/m1/s1
• InChIKey: DZCKXOOFQBIABK-OAHLLOKOSA-N
• XLogP: 3.77
• TPSA: 81.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.45
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-ethyl-N-[(7R)-7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]butanamide (CID 7354512) is 2-ethyl-N-[(7R)-7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]butanamide.

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

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

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

The InChIKey is DZCKXOOFQBIABK-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-4-13(5-2)20(26)24-21-22-12-17-18(23-21)10-15(11-19(17)25)14-6-8-16(27-3)9-7-14/h6-9,12-13,15H,4-5,10-11H2,1-3H3,(H,22,23,24,26)/t15-/m1/s1.

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

2-ethyl-N-[(7R)-7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]butanamide has a molecular weight of 367.45 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-N-[(7R)-7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]butanamide is sourced from PubChem (CID 7354512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).