3-(2-tert-butylphenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[4-(piperidin-1-ylmethyl)phenyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinazoline-2,4-dione;3-(2-phenylpropyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[(4-propanoylphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]quinazoline-2,4-dione

C135H123F6N11O18 — CID 163846473

About 3-(2-tert-butylphenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[4-(piperidin-1-ylmethyl)phenyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinazoline-2,4-dione;3-(2-phenylpropyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[(4-propanoylphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]quinazoline-2,4-dione

3-(2-tert-butylphenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[4-(piperidin-1-ylmethyl)phenyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinazoline-2,4-dione;3-(2-phenylpropyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[(4-propanoylphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]quinazoline-2,4-dione (PubChem CID 163846473) has the molecular formula C135H123F6N11O18 and a molecular weight of 2301.52 g/mol. Its IUPAC name is 3-(2-tert-butylphenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[4-(piperidin-1-ylmethyl)phenyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinazoline-2,4-dione;3-(2-phenylpropyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[(4-propanoylphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]quinazoline-2,4-dione.

Molecular Properties

• Compound Name: 3-(2-tert-butylphenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[4-(piperidin-1-ylmethyl)phenyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinazoline-2,4-dione;3-(2-phenylpropyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[(4-propanoylphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]quinazoline-2,4-dione
• PubChem CID: 163846473
• Molecular Formula: C135H123F6N11O18
• Molecular Weight: 2301.52 g/mol
• Exact Mass: 2299.90
• IUPAC Name: 3-(2-tert-butylphenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[4-(piperidin-1-ylmethyl)phenyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinazoline-2,4-dione;3-(2-phenylpropyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[(4-propanoylphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]quinazoline-2,4-dione
• SMILES: CCC(=O)c1ccc(Cn2c(=O)n(-c3ccccc3C(C)(C)C)c(=O)c3ccccc32)cc1.CCC(=O)c1ccc(Cn2c(=O)n(-c3ccccc3C(F)(F)F)c(=O)c3ccccc32)cc1.CCC(=O)c1ccc(Cn2c(=O)n(CC(C)c3ccccc3)c(=O)c3ccccc32)cc1.O=C(CO)c1ccc(Cn2c(=O)n(-c3ccc(CN4CCCCC4)cc3)c(=O)c3ccccc32)cc1.O=C(CO)c1ccc(Cn2c(=O)n(CCOc3cccc(C(F)(F)F)c3)c(=O)c3ccccc32)cc1
• InChI: InChI=1S/C29H29N3O4.C28H28N2O3.C27H26N2O3.C26H21F3N2O5.C25H19F3N2O3/c33-20-27(34)23-12-8-22(9-13-23)19-31-26-7-3-2-6-25(26)28(35)32(29(31)36)24-14-10-21(11-15-24)18-30-16-4-1-5-17-30;1-5-25(31)20-16-14-19(15-17-20)18-29-23-12-8-6-10-21(23)26(32)30(27(29)33)24-13-9-7-11-22(24)28(2,3)4;1-3-25(30)22-15-13-20(14-16-22)18-28-24-12-8-7-11-23(24)26(31)29(27(28)32)17-19(2)21-9-5-4-6-10-21;27-26(28,29)19-4-3-5-20(14-19)36-13-12-30-24(34)21-6-1-2-7-22(21)31(25(30)35)15-17-8-10-18(11-9-17)23(33)16-32;1-2-22(31)17-13-11-16(12-14-17)15-29-20-9-5-3-7-18(20)23(32)30(24(29)33)21-10-6-4-8-19(21)25(26,27)28/h2-3,6-15,33H,1,4-5,16-20H2;6-17H,5,18H2,1-4H3;4-16,19H,3,17-18H2,1-2H3;1-11,14,32H,12-13,15-16H2;3-14H,2,15H2,1H3
• InChIKey: OQPSQSMUJVDXCJ-UHFFFAOYSA-N
• XLogP: 21.36
• TPSA: 358.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 29
• Rotatable Bonds: 32
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2301.52
LogP ≤ 5	21.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylphenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[4-(piperidin-1-ylmethyl)phenyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinazoline-2,4-dione;3-(2-phenylpropyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[(4-propanoylphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]quinazoline-2,4-dione?

The IUPAC name of 3-(2-tert-butylphenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[4-(piperidin-1-ylmethyl)phenyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinazoline-2,4-dione;3-(2-phenylpropyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[(4-propanoylphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]quinazoline-2,4-dione (CID 163846473) is 3-(2-tert-butylphenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[4-(piperidin-1-ylmethyl)phenyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinazoline-2,4-dione;3-(2-phenylpropyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[(4-propanoylphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]quinazoline-2,4-dione.

What is the SMILES notation for 3-(2-tert-butylphenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[4-(piperidin-1-ylmethyl)phenyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinazoline-2,4-dione;3-(2-phenylpropyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[(4-propanoylphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]quinazoline-2,4-dione?

The canonical SMILES for 3-(2-tert-butylphenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[4-(piperidin-1-ylmethyl)phenyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinazoline-2,4-dione;3-(2-phenylpropyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[(4-propanoylphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]quinazoline-2,4-dione is CCC(=O)c1ccc(Cn2c(=O)n(-c3ccccc3C(C)(C)C)c(=O)c3ccccc32)cc1.CCC(=O)c1ccc(Cn2c(=O)n(-c3ccccc3C(F)(F)F)c(=O)c3ccccc32)cc1.CCC(=O)c1ccc(Cn2c(=O)n(CC(C)c3ccccc3)c(=O)c3ccccc32)cc1.O=C(CO)c1ccc(Cn2c(=O)n(-c3ccc(CN4CCCCC4)cc3)c(=O)c3ccccc32)cc1.O=C(CO)c1ccc(Cn2c(=O)n(CCOc3cccc(C(F)(F)F)c3)c(=O)c3ccccc32)cc1.

What is the InChIKey of 3-(2-tert-butylphenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[4-(piperidin-1-ylmethyl)phenyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinazoline-2,4-dione;3-(2-phenylpropyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[(4-propanoylphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]quinazoline-2,4-dione?

The InChIKey is OQPSQSMUJVDXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O4.C28H28N2O3.C27H26N2O3.C26H21F3N2O5.C25H19F3N2O3/c33-20-27(34)23-12-8-22(9-13-23)19-31-26-7-3-2-6-25(26)28(35)32(29(31)36)24-14-10-21(11-15-24)18-30-16-4-1-5-17-30;1-5-25(31)20-16-14-19(15-17-20)18-29-23-12-8-6-10-21(23)26(32)30(27(29)33)24-13-9-7-11-22(24)28(2,3)4;1-3-25(30)22-15-13-20(14-16-22)18-28-24-12-8-7-11-23(24)26(31)29(27(28)32)17-19(2)21-9-5-4-6-10-21;27-26(28,29)19-4-3-5-20(14-19)36-13-12-30-24(34)21-6-1-2-7-22(21)31(25(30)35)15-17-8-10-18(11-9-17)23(33)16-32;1-2-22(31)17-13-11-16(12-14-17)15-29-20-9-5-3-7-18(20)23(32)30(24(29)33)21-10-6-4-8-19(21)25(26,27)28/h2-3,6-15,33H,1,4-5,16-20H2;6-17H,5,18H2,1-4H3;4-16,19H,3,17-18H2,1-2H3;1-11,14,32H,12-13,15-16H2;3-14H,2,15H2,1H3.

What are the key properties of 3-(2-tert-butylphenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[4-(piperidin-1-ylmethyl)phenyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinazoline-2,4-dione;3-(2-phenylpropyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[(4-propanoylphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]quinazoline-2,4-dione?

3-(2-tert-butylphenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[4-(piperidin-1-ylmethyl)phenyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinazoline-2,4-dione;3-(2-phenylpropyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[(4-propanoylphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]quinazoline-2,4-dione has a molecular weight of 2301.52 g/mol, XLogP of 21.36, 32 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-tert-butylphenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[4-(piperidin-1-ylmethyl)phenyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinazoline-2,4-dione;3-(2-phenylpropyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[(4-propanoylphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]quinazoline-2,4-dione is sourced from PubChem (CID 163846473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).