1-(4-chlorophenyl)-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]propan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxy-2-methoxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)propan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-4-(4-methoxyphenyl)butan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)propan-2-one

C130H121ClF4N16O13 — CID 165083403

IUPAC1-(4-chlorophenyl)-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]propan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxy-2-methoxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)propan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-4-(4-methoxyphenyl)butan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)propan-2-one
SMILESCN(C)c1ccc2c(Oc3ccc(CC(=O)Cc4ccc(Cl)cc4)cc3)ncnc2c1.CN(C)c1ccc2c(Oc3ccc(CC(=O)Cc4ccc(F)cc4)cc3)ncnc2c1.COc1cc(Oc2ncnc3cc(N(C)C)ccc23)ccc1CC(=O)CCc1ccc(C(F)(F)F)nc1.COc1ccc(CC(=O)Cc2ccc(Oc3ncnc4cc(N(C)C)ccc34)cc2)cc1.COc1ccc(CCC(=O)Cc2ccc(Oc3ncnc4cc(N(C)C)ccc34)cc2)cc1
InChIInChI=1S/C27H25F3N4O3.C27H27N3O3.C26H25N3O3.C25H22ClN3O2.C25H22FN3O2/c1-34(2)19-7-10-22-23(13-19)32-16-33-26(22)37-21-9-6-18(24(14-21)36-3)12-20(35)8-4-17-5-11-25(31-15-17)27(28,29)30;1-30(2)21-9-15-25-26(17-21)28-18-29-27(25)33-24-13-7-20(8-14-24)16-22(31)10-4-19-5-11-23(32-3)12-6-19;1-29(2)20-8-13-24-25(16-20)27-17-28-26(24)32-23-11-6-19(7-12-23)15-21(30)14-18-4-9-22(31-3)10-5-18;2*1-29(2)20-9-12-23-24(15-20)27-16-28-25(23)31-22-10-5-18(6-11-22)14-21(30)13-17-3-7-19(26)8-4-17/h5-7,9-11,13-16H,4,8,12H2,1-3H3;5-9,11-15,17-18H,4,10,16H2,1-3H3;4-13,16-17H,14-15H2,1-3H3;2*3-12,15-16H,13-14H2,1-2H3
InChIKeyVMOVFHNFQIWWCO-UHFFFAOYSA-N
MW2226.94 g/mol
LogP26.22
Rot. Bonds40

About 1-(4-chlorophenyl)-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]propan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxy-2-methoxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)propan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-4-(4-methoxyphenyl)butan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)propan-2-one

1-(4-chlorophenyl)-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]propan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxy-2-methoxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)propan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-4-(4-methoxyphenyl)butan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)propan-2-one (PubChem CID 165083403) has the molecular formula C130H121ClF4N16O13 and a molecular weight of 2226.94 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]propan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxy-2-methoxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)propan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-4-(4-methoxyphenyl)butan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]propan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxy-2-methoxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)propan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-4-(4-methoxyphenyl)butan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)propan-2-one
PubChem CID165083403
Molecular FormulaC130H121ClF4N16O13
Molecular Weight2226.94 g/mol
Exact Mass2224.89
IUPAC Name1-(4-chlorophenyl)-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]propan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxy-2-methoxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)propan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-4-(4-methoxyphenyl)butan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)propan-2-one
SMILESCN(C)c1ccc2c(Oc3ccc(CC(=O)Cc4ccc(Cl)cc4)cc3)ncnc2c1.CN(C)c1ccc2c(Oc3ccc(CC(=O)Cc4ccc(F)cc4)cc3)ncnc2c1.COc1cc(Oc2ncnc3cc(N(C)C)ccc23)ccc1CC(=O)CCc1ccc(C(F)(F)F)nc1.COc1ccc(CC(=O)Cc2ccc(Oc3ncnc4cc(N(C)C)ccc34)cc2)cc1.COc1ccc(CCC(=O)Cc2ccc(Oc3ncnc4cc(N(C)C)ccc34)cc2)cc1
InChIInChI=1S/C27H25F3N4O3.C27H27N3O3.C26H25N3O3.C25H22ClN3O2.C25H22FN3O2/c1-34(2)19-7-10-22-23(13-19)32-16-33-26(22)37-21-9-6-18(24(14-21)36-3)12-20(35)8-4-17-5-11-25(31-15-17)27(28,29)30;1-30(2)21-9-15-25-26(17-21)28-18-29-27(25)33-24-13-7-20(8-14-24)16-22(31)10-4-19-5-11-23(32-3)12-6-19;1-29(2)20-8-13-24-25(16-20)27-17-28-26(24)32-23-11-6-19(7-12-23)15-21(30)14-18-4-9-22(31-3)10-5-18;2*1-29(2)20-9-12-23-24(15-20)27-16-28-25(23)31-22-10-5-18(6-11-22)14-21(30)13-17-3-7-19(26)8-4-17/h5-7,9-11,13-16H,4,8,12H2,1-3H3;5-9,11-15,17-18H,4,10,16H2,1-3H3;4-13,16-17H,14-15H2,1-3H3;2*3-12,15-16H,13-14H2,1-2H3
InChIKeyVMOVFHNFQIWWCO-UHFFFAOYSA-N
XLogP26.22
TPSA317.18 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds40
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002226.94
LogP ≤ 526.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze 1-(4-chlorophenyl)-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]propan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxy-2-methoxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)propan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-4-(4-methoxyphenyl)butan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)propan-2-one with MolForge

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Related Compounds

1,5-Bis[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-5-yl]oxypiperidin-1-yl]pentan-3-one
CID 91183226
5-[(4-Chlorophenyl)methoxy]quinazoline-2,4-diamine;5-(4-fluorophenoxy)quinazoline-2,4-diamine;5-(4-methylphenoxy)quinazoline-2,4-diamine;5-[(4-methylphenyl)methoxy]quinazoline-2,4-diamine;5-phenoxyquinazoline-2,4-diamine;5-pyrrol-1-ylquinazoline-2,4-diamine;5-[[4-(trifluoromethyl)phenyl]methoxy]quinazoline-2,4-diamine
CID 158862461
1-[2-Chloro-4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one
CID 164977025
1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]propan-2-one;1-[5-[7-(dimethylamino)quinazolin-4-yl]oxyindol-1-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-one;1-[4-[7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]quinazolin-4-yl]oxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one;1-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-phenylpropan-2-one;1-[4-[7-(4-methylpiperazin-1-yl)quinazolin-4-yl]oxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one
CID 165036869
1-[4-[7-(Dimethylamino)quinazolin-4-yl]oxy-2-methoxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one
CID 165083404
1-[4-[7-[4-(Dimethylamino)piperidin-1-yl]quinazolin-4-yl]oxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one
CID 165097889
1-[3-Chloro-4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one
CID 165102931
1-[1-[2-[4-[(7-Chloro-1,6-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone;2-(4-fluorophenyl)-1-[1-[2-[3-fluoro-4-[(7-pyrimidin-5-yl-1,6-naphthyridin-4-yl)oxy]phenyl]acetyl]cyclopropyl]ethanone;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
CID 157103106
1-[4-Chloro-3-[5-methyl-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[4-fluoro-3-[5-methyl-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-fluoro-3-piperidin-1-ylanilino)-5-methylpyrimidin-4-yl]phenyl]but-3-en-2-one;1-[4-isocyano-3-[5-methyl-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[4-methoxy-3-[5-methyl-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]but-3-en-2-one
CID 157438713
1-[4-Chloro-3-[2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[2-(4-fluoro-3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[4-fluoro-3-[2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[4-isocyano-3-[2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[4-methoxy-3-[2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]but-3-en-2-one
CID 158759723
1-[2-Chloro-4-[7-(3-chloropropoxy)-6-methylquinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one
CID 158958068
(E)-1-[4-(3-chloro-4-fluoroanilino)-7-(difluoromethoxy)quinazolin-6-yl]-5-(dimethylamino)pent-3-en-2-one;(E)-1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-4-pyridin-2-ylbut-3-en-2-one
CID 161004274

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]propan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxy-2-methoxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)propan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-4-(4-methoxyphenyl)butan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)propan-2-one?
The IUPAC name of 1-(4-chlorophenyl)-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]propan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxy-2-methoxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)propan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-4-(4-methoxyphenyl)butan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)propan-2-one (CID 165083403) is 1-(4-chlorophenyl)-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]propan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxy-2-methoxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)propan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-4-(4-methoxyphenyl)butan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)propan-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]propan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxy-2-methoxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)propan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-4-(4-methoxyphenyl)butan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)propan-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]propan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxy-2-methoxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)propan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-4-(4-methoxyphenyl)butan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)propan-2-one is CN(C)c1ccc2c(Oc3ccc(CC(=O)Cc4ccc(Cl)cc4)cc3)ncnc2c1.CN(C)c1ccc2c(Oc3ccc(CC(=O)Cc4ccc(F)cc4)cc3)ncnc2c1.COc1cc(Oc2ncnc3cc(N(C)C)ccc23)ccc1CC(=O)CCc1ccc(C(F)(F)F)nc1.COc1ccc(CC(=O)Cc2ccc(Oc3ncnc4cc(N(C)C)ccc34)cc2)cc1.COc1ccc(CCC(=O)Cc2ccc(Oc3ncnc4cc(N(C)C)ccc34)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]propan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxy-2-methoxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)propan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-4-(4-methoxyphenyl)butan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)propan-2-one?
The InChIKey is VMOVFHNFQIWWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N4O3.C27H27N3O3.C26H25N3O3.C25H22ClN3O2.C25H22FN3O2/c1-34(2)19-7-10-22-23(13-19)32-16-33-26(22)37-21-9-6-18(24(14-21)36-3)12-20(35)8-4-17-5-11-25(31-15-17)27(28,29)30;1-30(2)21-9-15-25-26(17-21)28-18-29-27(25)33-24-13-7-20(8-14-24)16-22(31)10-4-19-5-11-23(32-3)12-6-19;1-29(2)20-8-13-24-25(16-20)27-17-28-26(24)32-23-11-6-19(7-12-23)15-21(30)14-18-4-9-22(31-3)10-5-18;2*1-29(2)20-9-12-23-24(15-20)27-16-28-25(23)31-22-10-5-18(6-11-22)14-21(30)13-17-3-7-19(26)8-4-17/h5-7,9-11,13-16H,4,8,12H2,1-3H3;5-9,11-15,17-18H,4,10,16H2,1-3H3;4-13,16-17H,14-15H2,1-3H3;2*3-12,15-16H,13-14H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]propan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxy-2-methoxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)propan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-4-(4-methoxyphenyl)butan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)propan-2-one?
1-(4-chlorophenyl)-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]propan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxy-2-methoxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)propan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-4-(4-methoxyphenyl)butan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)propan-2-one has a molecular weight of 2226.94 g/mol, XLogP of 26.22, 40 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]propan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxy-2-methoxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)propan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-4-(4-methoxyphenyl)butan-2-one;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)propan-2-one is sourced from PubChem (CID 165083403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).