3-(2-chlorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;[2-[4-[[3-(2-fluorophenyl)-2,4-dioxoquinazolin-1-yl]methyl]phenyl]-2-oxoethyl] acetate;3-(3-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)cyclohexyl]methyl]-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(4-hydroxy-3-methylphenyl)ethyl]quinazoline-2,4-dione

C125H111ClF2N10O20 — CID 163568690

IUPAC3-(2-chlorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;[2-[4-[[3-(2-fluorophenyl)-2,4-dioxoquinazolin-1-yl]methyl]phenyl]-2-oxoethyl] acetate;3-(3-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)cyclohexyl]methyl]-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(4-hydroxy-3-methylphenyl)ethyl]quinazoline-2,4-dione
SMILESCC(=O)OCC(=O)c1ccc(Cn2c(=O)n(-c3ccccc3F)c(=O)c3ccccc32)cc1.CCC(=O)c1ccc(Cn2c(=O)n(-c3cccc(F)c3)c(=O)c3ccccc32)cc1.CCC(=O)c1ccc(Cn2c(=O)n(-c3ccccc3Cl)c(=O)c3ccccc32)cc1.Cc1cc(CCn2c(=O)c3ccccc3n(Cc3ccc(C(=O)CO)cc3)c2=O)ccc1O.Cc1cccc(CCn2c(=O)c3ccccc3n(CC3CCC(C(=O)CO)CC3)c2=O)c1
InChIInChI=1S/C26H24N2O5.C26H30N2O4.C25H19FN2O5.C24H19ClN2O3.C24H19FN2O3/c1-17-14-18(8-11-23(17)30)12-13-27-25(32)21-4-2-3-5-22(21)28(26(27)33)15-19-6-9-20(10-7-19)24(31)16-29;1-18-5-4-6-19(15-18)13-14-27-25(31)22-7-2-3-8-23(22)28(26(27)32)16-20-9-11-21(12-10-20)24(30)17-29;1-16(29)33-15-23(30)18-12-10-17(11-13-18)14-27-21-8-4-2-6-19(21)24(31)28(25(27)32)22-9-5-3-7-20(22)26;1-2-22(28)17-13-11-16(12-14-17)15-26-20-9-5-3-7-18(20)23(29)27(24(26)30)21-10-6-4-8-19(21)25;1-2-22(28)17-12-10-16(11-13-17)15-26-21-9-4-3-8-20(21)23(29)27(24(26)30)19-7-5-6-18(25)14-19/h2-11,14,29-30H,12-13,15-16H2,1H3;2-8,15,20-21,29H,9-14,16-17H2,1H3;2-13H,14-15H2,1H3;2*3-14H,2,15H2,1H3
InChIKeyFXJJZWQKHDMHHC-UHFFFAOYSA-N
MW2146.76 g/mol
LogP17.19
Rot. Bonds30

About 3-(2-chlorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;[2-[4-[[3-(2-fluorophenyl)-2,4-dioxoquinazolin-1-yl]methyl]phenyl]-2-oxoethyl] acetate;3-(3-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)cyclohexyl]methyl]-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(4-hydroxy-3-methylphenyl)ethyl]quinazoline-2,4-dione

3-(2-chlorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;[2-[4-[[3-(2-fluorophenyl)-2,4-dioxoquinazolin-1-yl]methyl]phenyl]-2-oxoethyl] acetate;3-(3-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)cyclohexyl]methyl]-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(4-hydroxy-3-methylphenyl)ethyl]quinazoline-2,4-dione (PubChem CID 163568690) has the molecular formula C125H111ClF2N10O20 and a molecular weight of 2146.76 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;[2-[4-[[3-(2-fluorophenyl)-2,4-dioxoquinazolin-1-yl]methyl]phenyl]-2-oxoethyl] acetate;3-(3-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)cyclohexyl]methyl]-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(4-hydroxy-3-methylphenyl)ethyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;[2-[4-[[3-(2-fluorophenyl)-2,4-dioxoquinazolin-1-yl]methyl]phenyl]-2-oxoethyl] acetate;3-(3-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)cyclohexyl]methyl]-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(4-hydroxy-3-methylphenyl)ethyl]quinazoline-2,4-dione
PubChem CID163568690
Molecular FormulaC125H111ClF2N10O20
Molecular Weight2146.76 g/mol
Exact Mass2144.76
IUPAC Name3-(2-chlorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;[2-[4-[[3-(2-fluorophenyl)-2,4-dioxoquinazolin-1-yl]methyl]phenyl]-2-oxoethyl] acetate;3-(3-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)cyclohexyl]methyl]-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(4-hydroxy-3-methylphenyl)ethyl]quinazoline-2,4-dione
SMILESCC(=O)OCC(=O)c1ccc(Cn2c(=O)n(-c3ccccc3F)c(=O)c3ccccc32)cc1.CCC(=O)c1ccc(Cn2c(=O)n(-c3cccc(F)c3)c(=O)c3ccccc32)cc1.CCC(=O)c1ccc(Cn2c(=O)n(-c3ccccc3Cl)c(=O)c3ccccc32)cc1.Cc1cc(CCn2c(=O)c3ccccc3n(Cc3ccc(C(=O)CO)cc3)c2=O)ccc1O.Cc1cccc(CCn2c(=O)c3ccccc3n(CC3CCC(C(=O)CO)CC3)c2=O)c1
InChIInChI=1S/C26H24N2O5.C26H30N2O4.C25H19FN2O5.C24H19ClN2O3.C24H19FN2O3/c1-17-14-18(8-11-23(17)30)12-13-27-25(32)21-4-2-3-5-22(21)28(26(27)33)15-19-6-9-20(10-7-19)24(31)16-29;1-18-5-4-6-19(15-18)13-14-27-25(31)22-7-2-3-8-23(22)28(26(27)32)16-20-9-11-21(12-10-20)24(30)17-29;1-16(29)33-15-23(30)18-12-10-17(11-13-18)14-27-21-8-4-2-6-19(21)24(31)28(25(27)32)22-9-5-3-7-20(22)26;1-2-22(28)17-13-11-16(12-14-17)15-26-20-9-5-3-7-18(20)23(29)27(24(26)30)21-10-6-4-8-19(21)25;1-2-22(28)17-12-10-16(11-13-17)15-26-21-9-4-3-8-20(21)23(29)27(24(26)30)19-7-5-6-18(25)14-19/h2-11,14,29-30H,12-13,15-16H2,1H3;2-8,15,20-21,29H,9-14,16-17H2,1H3;2-13H,14-15H2,1H3;2*3-14H,2,15H2,1H3
InChIKeyFXJJZWQKHDMHHC-UHFFFAOYSA-N
XLogP17.19
TPSA392.34 Ų
H-Bond Donors3
H-Bond Acceptors30
Rotatable Bonds30
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002146.76
LogP ≤ 517.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1030

Analyze 3-(2-chlorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;[2-[4-[[3-(2-fluorophenyl)-2,4-dioxoquinazolin-1-yl]methyl]phenyl]-2-oxoethyl] acetate;3-(3-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)cyclohexyl]methyl]-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(4-hydroxy-3-methylphenyl)ethyl]quinazoline-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;[2-[4-[[3-(2-fluorophenyl)-2,4-dioxoquinazolin-1-yl]methyl]phenyl]-2-oxoethyl] acetate;3-(3-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)cyclohexyl]methyl]-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(4-hydroxy-3-methylphenyl)ethyl]quinazoline-2,4-dione?
The IUPAC name of 3-(2-chlorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;[2-[4-[[3-(2-fluorophenyl)-2,4-dioxoquinazolin-1-yl]methyl]phenyl]-2-oxoethyl] acetate;3-(3-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)cyclohexyl]methyl]-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(4-hydroxy-3-methylphenyl)ethyl]quinazoline-2,4-dione (CID 163568690) is 3-(2-chlorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;[2-[4-[[3-(2-fluorophenyl)-2,4-dioxoquinazolin-1-yl]methyl]phenyl]-2-oxoethyl] acetate;3-(3-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)cyclohexyl]methyl]-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(4-hydroxy-3-methylphenyl)ethyl]quinazoline-2,4-dione.
What is the SMILES notation for 3-(2-chlorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;[2-[4-[[3-(2-fluorophenyl)-2,4-dioxoquinazolin-1-yl]methyl]phenyl]-2-oxoethyl] acetate;3-(3-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)cyclohexyl]methyl]-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(4-hydroxy-3-methylphenyl)ethyl]quinazoline-2,4-dione?
The canonical SMILES for 3-(2-chlorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;[2-[4-[[3-(2-fluorophenyl)-2,4-dioxoquinazolin-1-yl]methyl]phenyl]-2-oxoethyl] acetate;3-(3-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)cyclohexyl]methyl]-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(4-hydroxy-3-methylphenyl)ethyl]quinazoline-2,4-dione is CC(=O)OCC(=O)c1ccc(Cn2c(=O)n(-c3ccccc3F)c(=O)c3ccccc32)cc1.CCC(=O)c1ccc(Cn2c(=O)n(-c3cccc(F)c3)c(=O)c3ccccc32)cc1.CCC(=O)c1ccc(Cn2c(=O)n(-c3ccccc3Cl)c(=O)c3ccccc32)cc1.Cc1cc(CCn2c(=O)c3ccccc3n(Cc3ccc(C(=O)CO)cc3)c2=O)ccc1O.Cc1cccc(CCn2c(=O)c3ccccc3n(CC3CCC(C(=O)CO)CC3)c2=O)c1.
What is the InChIKey of 3-(2-chlorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;[2-[4-[[3-(2-fluorophenyl)-2,4-dioxoquinazolin-1-yl]methyl]phenyl]-2-oxoethyl] acetate;3-(3-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)cyclohexyl]methyl]-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(4-hydroxy-3-methylphenyl)ethyl]quinazoline-2,4-dione?
The InChIKey is FXJJZWQKHDMHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5.C26H30N2O4.C25H19FN2O5.C24H19ClN2O3.C24H19FN2O3/c1-17-14-18(8-11-23(17)30)12-13-27-25(32)21-4-2-3-5-22(21)28(26(27)33)15-19-6-9-20(10-7-19)24(31)16-29;1-18-5-4-6-19(15-18)13-14-27-25(31)22-7-2-3-8-23(22)28(26(27)32)16-20-9-11-21(12-10-20)24(30)17-29;1-16(29)33-15-23(30)18-12-10-17(11-13-18)14-27-21-8-4-2-6-19(21)24(31)28(25(27)32)22-9-5-3-7-20(22)26;1-2-22(28)17-13-11-16(12-14-17)15-26-20-9-5-3-7-18(20)23(29)27(24(26)30)21-10-6-4-8-19(21)25;1-2-22(28)17-12-10-16(11-13-17)15-26-21-9-4-3-8-20(21)23(29)27(24(26)30)19-7-5-6-18(25)14-19/h2-11,14,29-30H,12-13,15-16H2,1H3;2-8,15,20-21,29H,9-14,16-17H2,1H3;2-13H,14-15H2,1H3;2*3-14H,2,15H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;[2-[4-[[3-(2-fluorophenyl)-2,4-dioxoquinazolin-1-yl]methyl]phenyl]-2-oxoethyl] acetate;3-(3-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)cyclohexyl]methyl]-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(4-hydroxy-3-methylphenyl)ethyl]quinazoline-2,4-dione?
3-(2-chlorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;[2-[4-[[3-(2-fluorophenyl)-2,4-dioxoquinazolin-1-yl]methyl]phenyl]-2-oxoethyl] acetate;3-(3-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)cyclohexyl]methyl]-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(4-hydroxy-3-methylphenyl)ethyl]quinazoline-2,4-dione has a molecular weight of 2146.76 g/mol, XLogP of 17.19, 30 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;[2-[4-[[3-(2-fluorophenyl)-2,4-dioxoquinazolin-1-yl]methyl]phenyl]-2-oxoethyl] acetate;3-(3-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)cyclohexyl]methyl]-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-(4-hydroxy-3-methylphenyl)ethyl]quinazoline-2,4-dione is sourced from PubChem (CID 163568690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).