3-(2,6-dimethylphenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;6-fluoro-7-hydroxy-1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(4-methoxy-3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]quinazoline-2,4-dione;1-[(4-propanoylphenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]quinazoline-2,4-dione

C130H116F4N10O21 — CID 163620472

IUPAC3-(2,6-dimethylphenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;6-fluoro-7-hydroxy-1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(4-methoxy-3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]quinazoline-2,4-dione;1-[(4-propanoylphenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]quinazoline-2,4-dione
SMILESCCC(=O)c1ccc(Cn2c(=O)n(-c3c(C)cccc3C)c(=O)c3ccccc32)cc1.CCC(=O)c1ccc(Cn2c(=O)n(-c3ccccc3OC(F)(F)F)c(=O)c3ccccc32)cc1.COc1ccc(CCn2c(=O)c3ccccc3n(Cc3ccc(C(=O)CO)cc3)c2=O)cc1C.Cc1ccc(CCn2c(=O)c3ccccc3n(Cc3ccc(C(=O)CO)cc3)c2=O)cc1.Cc1cccc(CCn2c(=O)c3cc(F)c(O)cc3n(Cc3ccc(C(=O)CO)cc3)c2=O)c1
InChIInChI=1S/C27H26N2O5.C26H23FN2O5.C26H24N2O4.C26H24N2O3.C25H19F3N2O4/c1-18-15-19(9-12-25(18)34-2)13-14-28-26(32)22-5-3-4-6-23(22)29(27(28)33)16-20-7-10-21(11-8-20)24(31)17-30;1-16-3-2-4-17(11-16)9-10-28-25(33)20-12-21(27)23(31)13-22(20)29(26(28)34)14-18-5-7-19(8-6-18)24(32)15-30;1-18-6-8-19(9-7-18)14-15-27-25(31)22-4-2-3-5-23(22)28(26(27)32)16-20-10-12-21(13-11-20)24(30)17-29;1-4-23(29)20-14-12-19(13-15-20)16-27-22-11-6-5-10-21(22)25(30)28(26(27)31)24-17(2)8-7-9-18(24)3;1-2-21(31)17-13-11-16(12-14-17)15-29-19-8-4-3-7-18(19)23(32)30(24(29)33)20-9-5-6-10-22(20)34-25(26,27)28/h3-12,15,30H,13-14,16-17H2,1-2H3;2-8,11-13,30-31H,9-10,14-15H2,1H3;2-13,29H,14-17H2,1H3;5-15H,4,16H2,1-3H3;3-14H,2,15H2,1H3
InChIKeyHNRAFTFLICQJIF-UHFFFAOYSA-N
MW2230.40 g/mol
LogP17.77
Rot. Bonds33

About 3-(2,6-dimethylphenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;6-fluoro-7-hydroxy-1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(4-methoxy-3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]quinazoline-2,4-dione;1-[(4-propanoylphenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]quinazoline-2,4-dione

3-(2,6-dimethylphenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;6-fluoro-7-hydroxy-1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(4-methoxy-3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]quinazoline-2,4-dione;1-[(4-propanoylphenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]quinazoline-2,4-dione (PubChem CID 163620472) has the molecular formula C130H116F4N10O21 and a molecular weight of 2230.40 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;6-fluoro-7-hydroxy-1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(4-methoxy-3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]quinazoline-2,4-dione;1-[(4-propanoylphenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;6-fluoro-7-hydroxy-1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(4-methoxy-3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]quinazoline-2,4-dione;1-[(4-propanoylphenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]quinazoline-2,4-dione
PubChem CID163620472
Molecular FormulaC130H116F4N10O21
Molecular Weight2230.40 g/mol
Exact Mass2228.83
IUPAC Name3-(2,6-dimethylphenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;6-fluoro-7-hydroxy-1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(4-methoxy-3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]quinazoline-2,4-dione;1-[(4-propanoylphenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]quinazoline-2,4-dione
SMILESCCC(=O)c1ccc(Cn2c(=O)n(-c3c(C)cccc3C)c(=O)c3ccccc32)cc1.CCC(=O)c1ccc(Cn2c(=O)n(-c3ccccc3OC(F)(F)F)c(=O)c3ccccc32)cc1.COc1ccc(CCn2c(=O)c3ccccc3n(Cc3ccc(C(=O)CO)cc3)c2=O)cc1C.Cc1ccc(CCn2c(=O)c3ccccc3n(Cc3ccc(C(=O)CO)cc3)c2=O)cc1.Cc1cccc(CCn2c(=O)c3cc(F)c(O)cc3n(Cc3ccc(C(=O)CO)cc3)c2=O)c1
InChIInChI=1S/C27H26N2O5.C26H23FN2O5.C26H24N2O4.C26H24N2O3.C25H19F3N2O4/c1-18-15-19(9-12-25(18)34-2)13-14-28-26(32)22-5-3-4-6-23(22)29(27(28)33)16-20-7-10-21(11-8-20)24(31)17-30;1-16-3-2-4-17(11-16)9-10-28-25(33)20-12-21(27)23(31)13-22(20)29(26(28)34)14-18-5-7-19(8-6-18)24(32)15-30;1-18-6-8-19(9-7-18)14-15-27-25(31)22-4-2-3-5-23(22)28(26(27)32)16-20-10-12-21(13-11-20)24(30)17-29;1-4-23(29)20-14-12-19(13-15-20)16-27-22-11-6-5-10-21(22)25(30)28(26(27)31)24-17(2)8-7-9-18(24)3;1-2-21(31)17-13-11-16(12-14-17)15-29-19-8-4-3-7-18(19)23(32)30(24(29)33)20-9-5-6-10-22(20)34-25(26,27)28/h3-12,15,30H,13-14,16-17H2,1-2H3;2-8,11-13,30-31H,9-10,14-15H2,1H3;2-13,29H,14-17H2,1H3;5-15H,4,16H2,1-3H3;3-14H,2,15H2,1H3
InChIKeyHNRAFTFLICQJIF-UHFFFAOYSA-N
XLogP17.77
TPSA404.73 Ų
H-Bond Donors4
H-Bond Acceptors31
Rotatable Bonds33
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002230.40
LogP ≤ 517.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1031

Analyze 3-(2,6-dimethylphenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;6-fluoro-7-hydroxy-1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(4-methoxy-3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]quinazoline-2,4-dione;1-[(4-propanoylphenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]quinazoline-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;6-fluoro-7-hydroxy-1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(4-methoxy-3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]quinazoline-2,4-dione;1-[(4-propanoylphenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]quinazoline-2,4-dione?
The IUPAC name of 3-(2,6-dimethylphenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;6-fluoro-7-hydroxy-1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(4-methoxy-3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]quinazoline-2,4-dione;1-[(4-propanoylphenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]quinazoline-2,4-dione (CID 163620472) is 3-(2,6-dimethylphenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;6-fluoro-7-hydroxy-1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(4-methoxy-3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]quinazoline-2,4-dione;1-[(4-propanoylphenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]quinazoline-2,4-dione.
What is the SMILES notation for 3-(2,6-dimethylphenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;6-fluoro-7-hydroxy-1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(4-methoxy-3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]quinazoline-2,4-dione;1-[(4-propanoylphenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]quinazoline-2,4-dione?
The canonical SMILES for 3-(2,6-dimethylphenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;6-fluoro-7-hydroxy-1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(4-methoxy-3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]quinazoline-2,4-dione;1-[(4-propanoylphenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]quinazoline-2,4-dione is CCC(=O)c1ccc(Cn2c(=O)n(-c3c(C)cccc3C)c(=O)c3ccccc32)cc1.CCC(=O)c1ccc(Cn2c(=O)n(-c3ccccc3OC(F)(F)F)c(=O)c3ccccc32)cc1.COc1ccc(CCn2c(=O)c3ccccc3n(Cc3ccc(C(=O)CO)cc3)c2=O)cc1C.Cc1ccc(CCn2c(=O)c3ccccc3n(Cc3ccc(C(=O)CO)cc3)c2=O)cc1.Cc1cccc(CCn2c(=O)c3cc(F)c(O)cc3n(Cc3ccc(C(=O)CO)cc3)c2=O)c1.
What is the InChIKey of 3-(2,6-dimethylphenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;6-fluoro-7-hydroxy-1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(4-methoxy-3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]quinazoline-2,4-dione;1-[(4-propanoylphenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]quinazoline-2,4-dione?
The InChIKey is HNRAFTFLICQJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O5.C26H23FN2O5.C26H24N2O4.C26H24N2O3.C25H19F3N2O4/c1-18-15-19(9-12-25(18)34-2)13-14-28-26(32)22-5-3-4-6-23(22)29(27(28)33)16-20-7-10-21(11-8-20)24(31)17-30;1-16-3-2-4-17(11-16)9-10-28-25(33)20-12-21(27)23(31)13-22(20)29(26(28)34)14-18-5-7-19(8-6-18)24(32)15-30;1-18-6-8-19(9-7-18)14-15-27-25(31)22-4-2-3-5-23(22)28(26(27)32)16-20-10-12-21(13-11-20)24(30)17-29;1-4-23(29)20-14-12-19(13-15-20)16-27-22-11-6-5-10-21(22)25(30)28(26(27)31)24-17(2)8-7-9-18(24)3;1-2-21(31)17-13-11-16(12-14-17)15-29-19-8-4-3-7-18(19)23(32)30(24(29)33)20-9-5-6-10-22(20)34-25(26,27)28/h3-12,15,30H,13-14,16-17H2,1-2H3;2-8,11-13,30-31H,9-10,14-15H2,1H3;2-13,29H,14-17H2,1H3;5-15H,4,16H2,1-3H3;3-14H,2,15H2,1H3.
What are the key properties of 3-(2,6-dimethylphenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;6-fluoro-7-hydroxy-1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(4-methoxy-3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]quinazoline-2,4-dione;1-[(4-propanoylphenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]quinazoline-2,4-dione?
3-(2,6-dimethylphenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;6-fluoro-7-hydroxy-1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(4-methoxy-3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]quinazoline-2,4-dione;1-[(4-propanoylphenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]quinazoline-2,4-dione has a molecular weight of 2230.40 g/mol, XLogP of 17.77, 33 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;6-fluoro-7-hydroxy-1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(4-methoxy-3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]quinazoline-2,4-dione;1-[(4-propanoylphenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]quinazoline-2,4-dione is sourced from PubChem (CID 163620472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).