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

C23H21ClN4O3 — CID 41001704

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

(7S)-7-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 41001704) has the molecular formula C23H21ClN4O3 and a molecular weight of 436.90 g/mol. Its IUPAC name is (7S)-7-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

• Compound Name: (7S)-7-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
• PubChem CID: 41001704
• Molecular Formula: C23H21ClN4O3
• Molecular Weight: 436.90 g/mol
• Exact Mass: 436.13
• IUPAC Name: (7S)-7-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
• SMILES: O=C1C[C@@H](c2ccc(Cl)cc2)Cc2nc(N3CCN(C(=O)c4ccco4)CC3)ncc21
• InChI: InChI=1S/C23H21ClN4O3/c24-17-5-3-15(4-6-17)16-12-19-18(20(29)13-16)14-25-23(26-19)28-9-7-27(8-10-28)22(30)21-2-1-11-31-21/h1-6,11,14,16H,7-10,12-13H2/t16-/m0/s1
• InChIKey: XJDDBVYTGHETPV-INIZCTEOSA-N
• XLogP: 3.60
• TPSA: 79.54 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.90
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (7S)-7-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one (CID 41001704) is (7S)-7-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one.

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

The canonical SMILES for (7S)-7-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one is O=C1C[C@@H](c2ccc(Cl)cc2)Cc2nc(N3CCN(C(=O)c4ccco4)CC3)ncc21.

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

The InChIKey is XJDDBVYTGHETPV-INIZCTEOSA-N. The full InChI is InChI=1S/C23H21ClN4O3/c24-17-5-3-15(4-6-17)16-12-19-18(20(29)13-16)14-25-23(26-19)28-9-7-27(8-10-28)22(30)21-2-1-11-31-21/h1-6,11,14,16H,7-10,12-13H2/t16-/m0/s1.

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

(7S)-7-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 436.90 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (7S)-7-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 41001704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).