(7R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-7-(2-hydroxyphenyl)-7,8-dihydro-6H-quinazolin-5-one

C24H23ClN4O2 — CID 41026673

About (7R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-7-(2-hydroxyphenyl)-7,8-dihydro-6H-quinazolin-5-one

(7R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-7-(2-hydroxyphenyl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 41026673) has the molecular formula C24H23ClN4O2 and a molecular weight of 434.93 g/mol. Its IUPAC name is (7R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-7-(2-hydroxyphenyl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

• Compound Name: (7R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-7-(2-hydroxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
• PubChem CID: 41026673
• Molecular Formula: C24H23ClN4O2
• Molecular Weight: 434.93 g/mol
• Exact Mass: 434.15
• IUPAC Name: (7R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-7-(2-hydroxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
• SMILES: O=C1C[C@H](c2ccccc2O)Cc2nc(N3CCN(c4cccc(Cl)c4)CC3)ncc21
• InChI: InChI=1S/C24H23ClN4O2/c25-17-4-3-5-18(14-17)28-8-10-29(11-9-28)24-26-15-20-21(27-24)12-16(13-23(20)31)19-6-1-2-7-22(19)30/h1-7,14-16,30H,8-13H2/t16-/m1/s1
• InChIKey: GYCCEOLTGIGHGX-MRXNPFEDSA-N
• XLogP: 4.07
• TPSA: 69.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.93
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (7R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-7-(2-hydroxyphenyl)-7,8-dihydro-6H-quinazolin-5-one (CID 41026673) is (7R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-7-(2-hydroxyphenyl)-7,8-dihydro-6H-quinazolin-5-one.

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

The canonical SMILES for (7R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-7-(2-hydroxyphenyl)-7,8-dihydro-6H-quinazolin-5-one is O=C1C[C@H](c2ccccc2O)Cc2nc(N3CCN(c4cccc(Cl)c4)CC3)ncc21.

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

The InChIKey is GYCCEOLTGIGHGX-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H23ClN4O2/c25-17-4-3-5-18(14-17)28-8-10-29(11-9-28)24-26-15-20-21(27-24)12-16(13-23(20)31)19-6-1-2-7-22(19)30/h1-7,14-16,30H,8-13H2/t16-/m1/s1.

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

(7R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-7-(2-hydroxyphenyl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 434.93 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-7-(2-hydroxyphenyl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 41026673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).