(7R)-7-(3,5-difluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one

C24H22F2N4O3 — CID 41001721

About (7R)-7-(3,5-difluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one

(7R)-7-(3,5-difluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 41001721) has the molecular formula C24H22F2N4O3 and a molecular weight of 452.46 g/mol. Its IUPAC name is (7R)-7-(3,5-difluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

• Compound Name: (7R)-7-(3,5-difluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
• PubChem CID: 41001721
• Molecular Formula: C24H22F2N4O3
• Molecular Weight: 452.46 g/mol
• Exact Mass: 452.17
• IUPAC Name: (7R)-7-(3,5-difluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
• SMILES: Cc1nc(N2CCN(C(=O)c3ccco3)CC2)nc2c1C(=O)C[C@H](c1cc(F)cc(F)c1)C2
• InChI: InChI=1S/C24H22F2N4O3/c1-14-22-19(11-16(12-20(22)31)15-9-17(25)13-18(26)10-15)28-24(27-14)30-6-4-29(5-7-30)23(32)21-3-2-8-33-21/h2-3,8-10,13,16H,4-7,11-12H2,1H3/t16-/m1/s1
• InChIKey: JTSUNMUWKZWOHS-MRXNPFEDSA-N
• XLogP: 3.53
• TPSA: 79.54 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.46
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (7R)-7-(3,5-difluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?

The IUPAC name of (7R)-7-(3,5-difluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one (CID 41001721) is (7R)-7-(3,5-difluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one.

What is the SMILES notation for (7R)-7-(3,5-difluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?

The canonical SMILES for (7R)-7-(3,5-difluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one is Cc1nc(N2CCN(C(=O)c3ccco3)CC2)nc2c1C(=O)C[C@H](c1cc(F)cc(F)c1)C2.

What is the InChIKey of (7R)-7-(3,5-difluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?

The InChIKey is JTSUNMUWKZWOHS-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H22F2N4O3/c1-14-22-19(11-16(12-20(22)31)15-9-17(25)13-18(26)10-15)28-24(27-14)30-6-4-29(5-7-30)23(32)21-3-2-8-33-21/h2-3,8-10,13,16H,4-7,11-12H2,1H3/t16-/m1/s1.

What are the key properties of (7R)-7-(3,5-difluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?

(7R)-7-(3,5-difluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 452.46 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-7-(3,5-difluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 41001721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).