2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-(furan-2-yl)-4-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one

C28H27N5O4 — CID 43902865

About 2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-(furan-2-yl)-4-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one

2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-(furan-2-yl)-4-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 43902865) has the molecular formula C28H27N5O4 and a molecular weight of 497.56 g/mol. Its IUPAC name is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-(furan-2-yl)-4-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

• Compound Name: 2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-(furan-2-yl)-4-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
• PubChem CID: 43902865
• Molecular Formula: C28H27N5O4
• Molecular Weight: 497.56 g/mol
• Exact Mass: 497.21
• IUPAC Name: 2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-(furan-2-yl)-4-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
• SMILES: Cc1ccc(Nc2nc(N3CCN(C(=O)c4ccco4)CC3)nc3c2C(=O)CC(c2ccco2)C3)cc1
• InChI: InChI=1S/C28H27N5O4/c1-18-6-8-20(9-7-18)29-26-25-21(16-19(17-22(25)34)23-4-2-14-36-23)30-28(31-26)33-12-10-32(11-13-33)27(35)24-5-3-15-37-24/h2-9,14-15,19H,10-13,16-17H2,1H3,(H,29,30,31)
• InChIKey: BLWMSCUEVLOJKN-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 104.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.56
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-(furan-2-yl)-4-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one?

The IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-(furan-2-yl)-4-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one (CID 43902865) is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-(furan-2-yl)-4-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one.

What is the SMILES notation for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-(furan-2-yl)-4-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one?

The canonical SMILES for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-(furan-2-yl)-4-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one is Cc1ccc(Nc2nc(N3CCN(C(=O)c4ccco4)CC3)nc3c2C(=O)CC(c2ccco2)C3)cc1.

What is the InChIKey of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-(furan-2-yl)-4-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one?

The InChIKey is BLWMSCUEVLOJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O4/c1-18-6-8-20(9-7-18)29-26-25-21(16-19(17-22(25)34)23-4-2-14-36-23)30-28(31-26)33-12-10-32(11-13-33)27(35)24-5-3-15-37-24/h2-9,14-15,19H,10-13,16-17H2,1H3,(H,29,30,31).

What are the key properties of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-(furan-2-yl)-4-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one?

2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-(furan-2-yl)-4-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 497.56 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-(furan-2-yl)-4-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 43902865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).