8-chloro-3-(2-phenylethyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;3-(2-fluoro-2-phenylethyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[(2-fluoro-4-propanoylphenyl)methyl]-3-(2-phenylethyl)quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)-3-methylphenyl]methyl]-7-methyl-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-(4-phenylbutyl)quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinazoline-2,4-dione;6-(2-methoxyethoxy)-3-(2-phenylethyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;3-(2-phenylpropyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione

C246H233ClF5N19O34 — CID 167552062

IUPAC8-chloro-3-(2-phenylethyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;3-(2-fluoro-2-phenylethyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[(2-fluoro-4-propanoylphenyl)methyl]-3-(2-phenylethyl)quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)-3-methylphenyl]methyl]-7-methyl-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-(4-phenylbutyl)quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinazoline-2,4-dione;6-(2-methoxyethoxy)-3-(2-phenylethyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;3-(2-phenylpropyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione
SMILESCCC(=O)c1ccc(Cn2c(=O)n(CC(C)c3ccccc3)c(=O)c3ccccc32)cc1.CCC(=O)c1ccc(Cn2c(=O)n(CC(F)c3ccccc3)c(=O)c3ccccc32)cc1.CCC(=O)c1ccc(Cn2c(=O)n(CCc3ccccc3)c(=O)c3cc(OCCOC)ccc32)cc1.CCC(=O)c1ccc(Cn2c(=O)n(CCc3ccccc3)c(=O)c3cccc(Cl)c32)cc1.CCC(=O)c1ccc(Cn2c(=O)n(CCc3ccccc3)c(=O)c3ccccc32)c(F)c1.Cc1cccc(CCn2c(=O)c3ccc(C)cc3n(Cc3ccc(C(=O)CO)c(C)c3)c2=O)c1.O=C(CO)c1ccc(Cn2c(=O)n(CCCCc3ccccc3)c(=O)c3ccccc32)cc1.O=C(CO)c1ccc(Cn2c(=O)n(CCOc3cccc(C(F)(F)F)c3)c(=O)c3ccccc32)cc1.O=C(CO)c1ccc(Cn2c(=O)n(CCc3ccc(CN4CCCCC4)cc3)c(=O)c3ccccc32)cc1
InChIInChI=1S/C31H33N3O4.C29H30N2O5.C28H28N2O4.C27H26N2O4.C27H26N2O3.C26H23ClN2O3.C26H21F3N2O5.2C26H23FN2O3/c35-22-29(36)26-14-12-25(13-15-26)21-34-28-7-3-2-6-27(28)30(37)33(31(34)38)19-16-23-8-10-24(11-9-23)20-32-17-4-1-5-18-32;1-3-27(32)23-11-9-22(10-12-23)20-31-26-14-13-24(36-18-17-35-2)19-25(26)28(33)30(29(31)34)16-15-21-7-5-4-6-8-21;1-18-5-4-6-21(13-18)11-12-29-27(33)24-9-7-19(2)14-25(24)30(28(29)34)16-22-8-10-23(20(3)15-22)26(32)17-31;30-19-25(31)22-15-13-21(14-16-22)18-29-24-12-5-4-11-23(24)26(32)28(27(29)33)17-7-6-10-20-8-2-1-3-9-20;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;1-2-23(30)20-13-11-19(12-14-20)17-29-24-21(9-6-10-22(24)27)25(31)28(26(29)32)16-15-18-7-4-3-5-8-18;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;1-2-24(30)20-14-12-18(13-15-20)16-28-23-11-7-6-10-21(23)25(31)29(26(28)32)17-22(27)19-8-4-3-5-9-19;1-2-24(30)19-12-13-20(22(27)16-19)17-29-23-11-7-6-10-21(23)25(31)28(26(29)32)15-14-18-8-4-3-5-9-18/h2-3,6-15,35H,1,4-5,16-22H2;4-14,19H,3,15-18,20H2,1-2H3;4-10,13-15,31H,11-12,16-17H2,1-3H3;1-5,8-9,11-16,30H,6-7,10,17-19H2;4-16,19H,3,17-18H2,1-2H3;3-14H,2,15-17H2,1H3;1-11,14,32H,12-13,15-16H2;3-15,22H,2,16-17H2,1H3;3-13,16H,2,14-15,17H2,1H3
InChIKeyCNQDBPUPNINLPA-UHFFFAOYSA-N
MW4130.11 g/mol
LogP36.14
Rot. Bonds72

About 8-chloro-3-(2-phenylethyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;3-(2-fluoro-2-phenylethyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[(2-fluoro-4-propanoylphenyl)methyl]-3-(2-phenylethyl)quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)-3-methylphenyl]methyl]-7-methyl-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-(4-phenylbutyl)quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinazoline-2,4-dione;6-(2-methoxyethoxy)-3-(2-phenylethyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;3-(2-phenylpropyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione

8-chloro-3-(2-phenylethyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;3-(2-fluoro-2-phenylethyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[(2-fluoro-4-propanoylphenyl)methyl]-3-(2-phenylethyl)quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)-3-methylphenyl]methyl]-7-methyl-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-(4-phenylbutyl)quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinazoline-2,4-dione;6-(2-methoxyethoxy)-3-(2-phenylethyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;3-(2-phenylpropyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione (PubChem CID 167552062) has the molecular formula C246H233ClF5N19O34 and a molecular weight of 4130.11 g/mol. Its IUPAC name is 8-chloro-3-(2-phenylethyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;3-(2-fluoro-2-phenylethyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[(2-fluoro-4-propanoylphenyl)methyl]-3-(2-phenylethyl)quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)-3-methylphenyl]methyl]-7-methyl-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-(4-phenylbutyl)quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinazoline-2,4-dione;6-(2-methoxyethoxy)-3-(2-phenylethyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;3-(2-phenylpropyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name8-chloro-3-(2-phenylethyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;3-(2-fluoro-2-phenylethyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[(2-fluoro-4-propanoylphenyl)methyl]-3-(2-phenylethyl)quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)-3-methylphenyl]methyl]-7-methyl-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-(4-phenylbutyl)quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinazoline-2,4-dione;6-(2-methoxyethoxy)-3-(2-phenylethyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;3-(2-phenylpropyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione
PubChem CID167552062
Molecular FormulaC246H233ClF5N19O34
Molecular Weight4130.11 g/mol
Exact Mass4126.67
IUPAC Name8-chloro-3-(2-phenylethyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;3-(2-fluoro-2-phenylethyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[(2-fluoro-4-propanoylphenyl)methyl]-3-(2-phenylethyl)quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)-3-methylphenyl]methyl]-7-methyl-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-(4-phenylbutyl)quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinazoline-2,4-dione;6-(2-methoxyethoxy)-3-(2-phenylethyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;3-(2-phenylpropyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione
SMILESCCC(=O)c1ccc(Cn2c(=O)n(CC(C)c3ccccc3)c(=O)c3ccccc32)cc1.CCC(=O)c1ccc(Cn2c(=O)n(CC(F)c3ccccc3)c(=O)c3ccccc32)cc1.CCC(=O)c1ccc(Cn2c(=O)n(CCc3ccccc3)c(=O)c3cc(OCCOC)ccc32)cc1.CCC(=O)c1ccc(Cn2c(=O)n(CCc3ccccc3)c(=O)c3cccc(Cl)c32)cc1.CCC(=O)c1ccc(Cn2c(=O)n(CCc3ccccc3)c(=O)c3ccccc32)c(F)c1.Cc1cccc(CCn2c(=O)c3ccc(C)cc3n(Cc3ccc(C(=O)CO)c(C)c3)c2=O)c1.O=C(CO)c1ccc(Cn2c(=O)n(CCCCc3ccccc3)c(=O)c3ccccc32)cc1.O=C(CO)c1ccc(Cn2c(=O)n(CCOc3cccc(C(F)(F)F)c3)c(=O)c3ccccc32)cc1.O=C(CO)c1ccc(Cn2c(=O)n(CCc3ccc(CN4CCCCC4)cc3)c(=O)c3ccccc32)cc1
InChIInChI=1S/C31H33N3O4.C29H30N2O5.C28H28N2O4.C27H26N2O4.C27H26N2O3.C26H23ClN2O3.C26H21F3N2O5.2C26H23FN2O3/c35-22-29(36)26-14-12-25(13-15-26)21-34-28-7-3-2-6-27(28)30(37)33(31(34)38)19-16-23-8-10-24(11-9-23)20-32-17-4-1-5-18-32;1-3-27(32)23-11-9-22(10-12-23)20-31-26-14-13-24(36-18-17-35-2)19-25(26)28(33)30(29(31)34)16-15-21-7-5-4-6-8-21;1-18-5-4-6-21(13-18)11-12-29-27(33)24-9-7-19(2)14-25(24)30(28(29)34)16-22-8-10-23(20(3)15-22)26(32)17-31;30-19-25(31)22-15-13-21(14-16-22)18-29-24-12-5-4-11-23(24)26(32)28(27(29)33)17-7-6-10-20-8-2-1-3-9-20;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;1-2-23(30)20-13-11-19(12-14-20)17-29-24-21(9-6-10-22(24)27)25(31)28(26(29)32)16-15-18-7-4-3-5-8-18;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;1-2-24(30)20-14-12-18(13-15-20)16-28-23-11-7-6-10-21(23)25(31)29(26(28)32)17-22(27)19-8-4-3-5-9-19;1-2-24(30)19-12-13-20(22(27)16-19)17-29-23-11-7-6-10-21(23)25(31)28(26(29)32)15-14-18-8-4-3-5-9-18/h2-3,6-15,35H,1,4-5,16-22H2;4-14,19H,3,15-18,20H2,1-2H3;4-10,13-15,31H,11-12,16-17H2,1-3H3;1-5,8-9,11-16,30H,6-7,10,17-19H2;4-16,19H,3,17-18H2,1-2H3;3-14H,2,15-17H2,1H3;1-11,14,32H,12-13,15-16H2;3-15,22H,2,16-17H2,1H3;3-13,16H,2,14-15,17H2,1H3
InChIKeyCNQDBPUPNINLPA-UHFFFAOYSA-N
XLogP36.14
TPSA661.48 Ų
H-Bond Donors4
H-Bond Acceptors53
Rotatable Bonds72
Heavy Atoms305
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004130.11
LogP ≤ 536.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1053

Analyze 8-chloro-3-(2-phenylethyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;3-(2-fluoro-2-phenylethyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[(2-fluoro-4-propanoylphenyl)methyl]-3-(2-phenylethyl)quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)-3-methylphenyl]methyl]-7-methyl-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-(4-phenylbutyl)quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinazoline-2,4-dione;6-(2-methoxyethoxy)-3-(2-phenylethyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;3-(2-phenylpropyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(2-phenylethyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;3-(2-fluoro-2-phenylethyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[(2-fluoro-4-propanoylphenyl)methyl]-3-(2-phenylethyl)quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)-3-methylphenyl]methyl]-7-methyl-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-(4-phenylbutyl)quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinazoline-2,4-dione;6-(2-methoxyethoxy)-3-(2-phenylethyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;3-(2-phenylpropyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione?
The IUPAC name of 8-chloro-3-(2-phenylethyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;3-(2-fluoro-2-phenylethyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[(2-fluoro-4-propanoylphenyl)methyl]-3-(2-phenylethyl)quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)-3-methylphenyl]methyl]-7-methyl-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-(4-phenylbutyl)quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinazoline-2,4-dione;6-(2-methoxyethoxy)-3-(2-phenylethyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;3-(2-phenylpropyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione (CID 167552062) is 8-chloro-3-(2-phenylethyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;3-(2-fluoro-2-phenylethyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[(2-fluoro-4-propanoylphenyl)methyl]-3-(2-phenylethyl)quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)-3-methylphenyl]methyl]-7-methyl-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-(4-phenylbutyl)quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinazoline-2,4-dione;6-(2-methoxyethoxy)-3-(2-phenylethyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;3-(2-phenylpropyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione.
What is the SMILES notation for 8-chloro-3-(2-phenylethyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;3-(2-fluoro-2-phenylethyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[(2-fluoro-4-propanoylphenyl)methyl]-3-(2-phenylethyl)quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)-3-methylphenyl]methyl]-7-methyl-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-(4-phenylbutyl)quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinazoline-2,4-dione;6-(2-methoxyethoxy)-3-(2-phenylethyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;3-(2-phenylpropyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione?
The canonical SMILES for 8-chloro-3-(2-phenylethyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;3-(2-fluoro-2-phenylethyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[(2-fluoro-4-propanoylphenyl)methyl]-3-(2-phenylethyl)quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)-3-methylphenyl]methyl]-7-methyl-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-(4-phenylbutyl)quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinazoline-2,4-dione;6-(2-methoxyethoxy)-3-(2-phenylethyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;3-(2-phenylpropyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione is CCC(=O)c1ccc(Cn2c(=O)n(CC(C)c3ccccc3)c(=O)c3ccccc32)cc1.CCC(=O)c1ccc(Cn2c(=O)n(CC(F)c3ccccc3)c(=O)c3ccccc32)cc1.CCC(=O)c1ccc(Cn2c(=O)n(CCc3ccccc3)c(=O)c3cc(OCCOC)ccc32)cc1.CCC(=O)c1ccc(Cn2c(=O)n(CCc3ccccc3)c(=O)c3cccc(Cl)c32)cc1.CCC(=O)c1ccc(Cn2c(=O)n(CCc3ccccc3)c(=O)c3ccccc32)c(F)c1.Cc1cccc(CCn2c(=O)c3ccc(C)cc3n(Cc3ccc(C(=O)CO)c(C)c3)c2=O)c1.O=C(CO)c1ccc(Cn2c(=O)n(CCCCc3ccccc3)c(=O)c3ccccc32)cc1.O=C(CO)c1ccc(Cn2c(=O)n(CCOc3cccc(C(F)(F)F)c3)c(=O)c3ccccc32)cc1.O=C(CO)c1ccc(Cn2c(=O)n(CCc3ccc(CN4CCCCC4)cc3)c(=O)c3ccccc32)cc1.
What is the InChIKey of 8-chloro-3-(2-phenylethyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;3-(2-fluoro-2-phenylethyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[(2-fluoro-4-propanoylphenyl)methyl]-3-(2-phenylethyl)quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)-3-methylphenyl]methyl]-7-methyl-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-(4-phenylbutyl)quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinazoline-2,4-dione;6-(2-methoxyethoxy)-3-(2-phenylethyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;3-(2-phenylpropyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione?
The InChIKey is CNQDBPUPNINLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N3O4.C29H30N2O5.C28H28N2O4.C27H26N2O4.C27H26N2O3.C26H23ClN2O3.C26H21F3N2O5.2C26H23FN2O3/c35-22-29(36)26-14-12-25(13-15-26)21-34-28-7-3-2-6-27(28)30(37)33(31(34)38)19-16-23-8-10-24(11-9-23)20-32-17-4-1-5-18-32;1-3-27(32)23-11-9-22(10-12-23)20-31-26-14-13-24(36-18-17-35-2)19-25(26)28(33)30(29(31)34)16-15-21-7-5-4-6-8-21;1-18-5-4-6-21(13-18)11-12-29-27(33)24-9-7-19(2)14-25(24)30(28(29)34)16-22-8-10-23(20(3)15-22)26(32)17-31;30-19-25(31)22-15-13-21(14-16-22)18-29-24-12-5-4-11-23(24)26(32)28(27(29)33)17-7-6-10-20-8-2-1-3-9-20;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;1-2-23(30)20-13-11-19(12-14-20)17-29-24-21(9-6-10-22(24)27)25(31)28(26(29)32)16-15-18-7-4-3-5-8-18;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;1-2-24(30)20-14-12-18(13-15-20)16-28-23-11-7-6-10-21(23)25(31)29(26(28)32)17-22(27)19-8-4-3-5-9-19;1-2-24(30)19-12-13-20(22(27)16-19)17-29-23-11-7-6-10-21(23)25(31)28(26(29)32)15-14-18-8-4-3-5-9-18/h2-3,6-15,35H,1,4-5,16-22H2;4-14,19H,3,15-18,20H2,1-2H3;4-10,13-15,31H,11-12,16-17H2,1-3H3;1-5,8-9,11-16,30H,6-7,10,17-19H2;4-16,19H,3,17-18H2,1-2H3;3-14H,2,15-17H2,1H3;1-11,14,32H,12-13,15-16H2;3-15,22H,2,16-17H2,1H3;3-13,16H,2,14-15,17H2,1H3.
What are the key properties of 8-chloro-3-(2-phenylethyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;3-(2-fluoro-2-phenylethyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[(2-fluoro-4-propanoylphenyl)methyl]-3-(2-phenylethyl)quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)-3-methylphenyl]methyl]-7-methyl-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-(4-phenylbutyl)quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinazoline-2,4-dione;6-(2-methoxyethoxy)-3-(2-phenylethyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;3-(2-phenylpropyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione?
8-chloro-3-(2-phenylethyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;3-(2-fluoro-2-phenylethyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[(2-fluoro-4-propanoylphenyl)methyl]-3-(2-phenylethyl)quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)-3-methylphenyl]methyl]-7-methyl-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-(4-phenylbutyl)quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinazoline-2,4-dione;6-(2-methoxyethoxy)-3-(2-phenylethyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;3-(2-phenylpropyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione has a molecular weight of 4130.11 g/mol, XLogP of 36.14, 72 rotatable bonds, 4 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(2-phenylethyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;3-(2-fluoro-2-phenylethyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;1-[(2-fluoro-4-propanoylphenyl)methyl]-3-(2-phenylethyl)quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)-3-methylphenyl]methyl]-7-methyl-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-(4-phenylbutyl)quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]quinazoline-2,4-dione;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinazoline-2,4-dione;6-(2-methoxyethoxy)-3-(2-phenylethyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione;3-(2-phenylpropyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione is sourced from PubChem (CID 167552062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).