6-(2,3-dichlorophenyl)-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one

C24H27Cl2N3O — CID 143175087

About 6-(2,3-dichlorophenyl)-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one

6-(2,3-dichlorophenyl)-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one (PubChem CID 143175087) has the molecular formula C24H27Cl2N3O and a molecular weight of 444.41 g/mol. Its IUPAC name is 6-(2,3-dichlorophenyl)-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one.

Molecular Properties

• Compound Name: 6-(2,3-dichlorophenyl)-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one
• PubChem CID: 143175087
• Molecular Formula: C24H27Cl2N3O
• Molecular Weight: 444.41 g/mol
• Exact Mass: 443.15
• IUPAC Name: 6-(2,3-dichlorophenyl)-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one
• SMILES: Cc1nc2ccc(-c3cccc(Cl)c3Cl)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1
• InChI: InChI=1S/C24H27Cl2N3O/c1-15(2)28-11-5-6-17(13-28)14-29-16(3)27-22-10-9-18(12-20(22)24(29)30)19-7-4-8-21(25)23(19)26/h4,7-10,12,15,17H,5-6,11,13-14H2,1-3H3/t17-/m0/s1
• InChIKey: ZRUKFCMOELDMFF-KRWDZBQOSA-N
• XLogP: 5.80
• TPSA: 38.13 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.41
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dichlorophenyl)-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one?

The IUPAC name of 6-(2,3-dichlorophenyl)-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one (CID 143175087) is 6-(2,3-dichlorophenyl)-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one.

What is the SMILES notation for 6-(2,3-dichlorophenyl)-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one?

The canonical SMILES for 6-(2,3-dichlorophenyl)-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one is Cc1nc2ccc(-c3cccc(Cl)c3Cl)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1.

What is the InChIKey of 6-(2,3-dichlorophenyl)-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one?

The InChIKey is ZRUKFCMOELDMFF-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H27Cl2N3O/c1-15(2)28-11-5-6-17(13-28)14-29-16(3)27-22-10-9-18(12-20(22)24(29)30)19-7-4-8-21(25)23(19)26/h4,7-10,12,15,17H,5-6,11,13-14H2,1-3H3/t17-/m0/s1.

What are the key properties of 6-(2,3-dichlorophenyl)-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one?

6-(2,3-dichlorophenyl)-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one has a molecular weight of 444.41 g/mol, XLogP of 5.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,3-dichlorophenyl)-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one is sourced from PubChem (CID 143175087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).