N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)butanamide

C26H33N3O3 — CID 42723641

About N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)butanamide

N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)butanamide (PubChem CID 42723641) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)butanamide.

Molecular Properties

• Compound Name: N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)butanamide
• PubChem CID: 42723641
• Molecular Formula: C26H33N3O3
• Molecular Weight: 435.57 g/mol
• Exact Mass: 435.25
• IUPAC Name: N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)butanamide
• SMILES: CCCC(=O)N(CC(C)C)C(C)c1nc2ccccc2c(=O)n1-c1cc(C)ccc1OC
• InChI: InChI=1S/C26H33N3O3/c1-7-10-24(30)28(16-17(2)3)19(5)25-27-21-12-9-8-11-20(21)26(31)29(25)22-15-18(4)13-14-23(22)32-6/h8-9,11-15,17,19H,7,10,16H2,1-6H3
• InChIKey: WXLQKOZQHYJCBA-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 64.43 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.57
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)butanamide?

The IUPAC name of N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)butanamide (CID 42723641) is N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)butanamide.

What is the SMILES notation for N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)butanamide?

The canonical SMILES for N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)butanamide is CCCC(=O)N(CC(C)C)C(C)c1nc2ccccc2c(=O)n1-c1cc(C)ccc1OC.

What is the InChIKey of N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)butanamide?

The InChIKey is WXLQKOZQHYJCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-7-10-24(30)28(16-17(2)3)19(5)25-27-21-12-9-8-11-20(21)26(31)29(25)22-15-18(4)13-14-23(22)32-6/h8-9,11-15,17,19H,7,10,16H2,1-6H3.

What are the key properties of N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)butanamide?

N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)butanamide has a molecular weight of 435.57 g/mol, XLogP of 5.05, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 42723641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).