3-[[2-(3-bromophenyl)quinazolin-4-yl]-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)propanamide

C25H25BrN4O3 — CID 42809506

About 3-[[2-(3-bromophenyl)quinazolin-4-yl]-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)propanamide

3-[[2-(3-bromophenyl)quinazolin-4-yl]-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)propanamide (PubChem CID 42809506) has the molecular formula C25H25BrN4O3 and a molecular weight of 509.40 g/mol. Its IUPAC name is 3-[[2-(3-bromophenyl)quinazolin-4-yl]-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

• Compound Name: 3-[[2-(3-bromophenyl)quinazolin-4-yl]-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)propanamide
• PubChem CID: 42809506
• Molecular Formula: C25H25BrN4O3
• Molecular Weight: 509.40 g/mol
• Exact Mass: 508.11
• IUPAC Name: 3-[[2-(3-bromophenyl)quinazolin-4-yl]-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)propanamide
• SMILES: COCCN(CCC(=O)NCc1ccco1)c1nc(-c2cccc(Br)c2)nc2ccccc12
• InChI: InChI=1S/C25H25BrN4O3/c1-32-15-13-30(12-11-23(31)27-17-20-8-5-14-33-20)25-21-9-2-3-10-22(21)28-24(29-25)18-6-4-7-19(26)16-18/h2-10,14,16H,11-13,15,17H2,1H3,(H,27,31)
• InChIKey: RNZSRBCOQQBFEE-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.40
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-bromophenyl)quinazolin-4-yl]-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)propanamide?

The IUPAC name of 3-[[2-(3-bromophenyl)quinazolin-4-yl]-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)propanamide (CID 42809506) is 3-[[2-(3-bromophenyl)quinazolin-4-yl]-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)propanamide.

What is the SMILES notation for 3-[[2-(3-bromophenyl)quinazolin-4-yl]-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)propanamide?

The canonical SMILES for 3-[[2-(3-bromophenyl)quinazolin-4-yl]-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)propanamide is COCCN(CCC(=O)NCc1ccco1)c1nc(-c2cccc(Br)c2)nc2ccccc12.

What is the InChIKey of 3-[[2-(3-bromophenyl)quinazolin-4-yl]-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)propanamide?

The InChIKey is RNZSRBCOQQBFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrN4O3/c1-32-15-13-30(12-11-23(31)27-17-20-8-5-14-33-20)25-21-9-2-3-10-22(21)28-24(29-25)18-6-4-7-19(26)16-18/h2-10,14,16H,11-13,15,17H2,1H3,(H,27,31).

What are the key properties of 3-[[2-(3-bromophenyl)quinazolin-4-yl]-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)propanamide?

3-[[2-(3-bromophenyl)quinazolin-4-yl]-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 509.40 g/mol, XLogP of 4.81, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-(3-bromophenyl)quinazolin-4-yl]-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 42809506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).