1-(4-chlorophenyl)-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]urea;1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-phenylurea

C125H117Cl2F3N26O13 — CID 165001609

IUPAC1-(4-chlorophenyl)-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]urea;1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-phenylurea
SMILESCN(C)c1ccc2c(Oc3ccc(NC(=O)NCc4ccc(C(F)(F)F)nc4)cc3)ncnc2c1.CN(C)c1ccc2c(Oc3ccc(NC(=O)Nc4ccc(Cl)cc4)cc3)ncnc2c1.COC1CCN(c2ccc3c(Oc4ccc(NC(=O)Nc5ccc(Cl)cc5)cc4)ncnc3c2)CC1.COC1CCN(c2ccc3c(Oc4ccc(NC(=O)Nc5ccccc5)cc4)ncnc3c2)CC1.COc1ccc(NC(=O)Nc2ccc(Oc3ncnc4cc(N(C)C)ccc34)cc2)cc1
InChIInChI=1S/C27H26ClN5O3.C27H27N5O3.C24H21F3N6O2.C24H23N5O3.C23H20ClN5O2/c1-35-22-12-14-33(15-13-22)21-8-11-24-25(16-21)29-17-30-26(24)36-23-9-6-20(7-10-23)32-27(34)31-19-4-2-18(28)3-5-19;1-34-22-13-15-32(16-14-22)21-9-12-24-25(17-21)28-18-29-26(24)35-23-10-7-20(8-11-23)31-27(33)30-19-5-3-2-4-6-19;1-33(2)17-6-9-19-20(11-17)30-14-31-22(19)35-18-7-4-16(5-8-18)32-23(34)29-13-15-3-10-21(28-12-15)24(25,26)27;1-29(2)18-8-13-21-22(14-18)25-15-26-23(21)32-20-11-6-17(7-12-20)28-24(30)27-16-4-9-19(31-3)10-5-16;1-29(2)18-9-12-20-21(13-18)25-14-26-22(20)31-19-10-7-17(8-11-19)28-23(30)27-16-5-3-15(24)4-6-16/h2-11,16-17,22H,12-15H2,1H3,(H2,31,32,34);2-12,17-18,22H,13-16H2,1H3,(H2,30,31,33);3-12,14H,13H2,1-2H3,(H2,29,32,34);4-15H,1-3H3,(H2,27,28,30);3-14H,1-2H3,(H2,27,28,30)
InChIKeyIIFUERFNWGGYTC-UHFFFAOYSA-N
MW2319.38 g/mol
LogP28.17
Rot. Bonds29

About 1-(4-chlorophenyl)-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]urea;1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-phenylurea

1-(4-chlorophenyl)-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]urea;1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-phenylurea (PubChem CID 165001609) has the molecular formula C125H117Cl2F3N26O13 and a molecular weight of 2319.38 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]urea;1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-phenylurea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]urea;1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-phenylurea
PubChem CID165001609
Molecular FormulaC125H117Cl2F3N26O13
Molecular Weight2319.38 g/mol
Exact Mass2316.86
IUPAC Name1-(4-chlorophenyl)-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]urea;1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-phenylurea
SMILESCN(C)c1ccc2c(Oc3ccc(NC(=O)NCc4ccc(C(F)(F)F)nc4)cc3)ncnc2c1.CN(C)c1ccc2c(Oc3ccc(NC(=O)Nc4ccc(Cl)cc4)cc3)ncnc2c1.COC1CCN(c2ccc3c(Oc4ccc(NC(=O)Nc5ccc(Cl)cc5)cc4)ncnc3c2)CC1.COC1CCN(c2ccc3c(Oc4ccc(NC(=O)Nc5ccccc5)cc4)ncnc3c2)CC1.COc1ccc(NC(=O)Nc2ccc(Oc3ncnc4cc(N(C)C)ccc34)cc2)cc1
InChIInChI=1S/C27H26ClN5O3.C27H27N5O3.C24H21F3N6O2.C24H23N5O3.C23H20ClN5O2/c1-35-22-12-14-33(15-13-22)21-8-11-24-25(16-21)29-17-30-26(24)36-23-9-6-20(7-10-23)32-27(34)31-19-4-2-18(28)3-5-19;1-34-22-13-15-32(16-14-22)21-9-12-24-25(17-21)28-18-29-26(24)35-23-10-7-20(8-11-23)31-27(33)30-19-5-3-2-4-6-19;1-33(2)17-6-9-19-20(11-17)30-14-31-22(19)35-18-7-4-16(5-8-18)32-23(34)29-13-15-3-10-21(28-12-15)24(25,26)27;1-29(2)18-8-13-21-22(14-18)25-15-26-23(21)32-20-11-6-17(7-12-20)28-24(30)27-16-4-9-19(31-3)10-5-16;1-29(2)18-9-12-20-21(13-18)25-14-26-22(20)31-19-10-7-17(8-11-19)28-23(30)27-16-5-3-15(24)4-6-16/h2-11,16-17,22H,12-15H2,1H3,(H2,31,32,34);2-12,17-18,22H,13-16H2,1H3,(H2,30,31,33);3-12,14H,13H2,1-2H3,(H2,29,32,34);4-15H,1-3H3,(H2,27,28,30);3-14H,1-2H3,(H2,27,28,30)
InChIKeyIIFUERFNWGGYTC-UHFFFAOYSA-N
XLogP28.17
TPSA437.48 Ų
H-Bond Donors10
H-Bond Acceptors29
Rotatable Bonds29
Heavy Atoms169
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002319.38
LogP ≤ 528.17
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1029

Analyze 1-(4-chlorophenyl)-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]urea;1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-phenylurea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]urea;1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-phenylurea?
The IUPAC name of 1-(4-chlorophenyl)-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]urea;1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-phenylurea (CID 165001609) is 1-(4-chlorophenyl)-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]urea;1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-phenylurea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]urea;1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-phenylurea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]urea;1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-phenylurea is CN(C)c1ccc2c(Oc3ccc(NC(=O)NCc4ccc(C(F)(F)F)nc4)cc3)ncnc2c1.CN(C)c1ccc2c(Oc3ccc(NC(=O)Nc4ccc(Cl)cc4)cc3)ncnc2c1.COC1CCN(c2ccc3c(Oc4ccc(NC(=O)Nc5ccc(Cl)cc5)cc4)ncnc3c2)CC1.COC1CCN(c2ccc3c(Oc4ccc(NC(=O)Nc5ccccc5)cc4)ncnc3c2)CC1.COc1ccc(NC(=O)Nc2ccc(Oc3ncnc4cc(N(C)C)ccc34)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]urea;1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-phenylurea?
The InChIKey is IIFUERFNWGGYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN5O3.C27H27N5O3.C24H21F3N6O2.C24H23N5O3.C23H20ClN5O2/c1-35-22-12-14-33(15-13-22)21-8-11-24-25(16-21)29-17-30-26(24)36-23-9-6-20(7-10-23)32-27(34)31-19-4-2-18(28)3-5-19;1-34-22-13-15-32(16-14-22)21-9-12-24-25(17-21)28-18-29-26(24)35-23-10-7-20(8-11-23)31-27(33)30-19-5-3-2-4-6-19;1-33(2)17-6-9-19-20(11-17)30-14-31-22(19)35-18-7-4-16(5-8-18)32-23(34)29-13-15-3-10-21(28-12-15)24(25,26)27;1-29(2)18-8-13-21-22(14-18)25-15-26-23(21)32-20-11-6-17(7-12-20)28-24(30)27-16-4-9-19(31-3)10-5-16;1-29(2)18-9-12-20-21(13-18)25-14-26-22(20)31-19-10-7-17(8-11-19)28-23(30)27-16-5-3-15(24)4-6-16/h2-11,16-17,22H,12-15H2,1H3,(H2,31,32,34);2-12,17-18,22H,13-16H2,1H3,(H2,30,31,33);3-12,14H,13H2,1-2H3,(H2,29,32,34);4-15H,1-3H3,(H2,27,28,30);3-14H,1-2H3,(H2,27,28,30).
What are the key properties of 1-(4-chlorophenyl)-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]urea;1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-phenylurea?
1-(4-chlorophenyl)-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]urea;1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-phenylurea has a molecular weight of 2319.38 g/mol, XLogP of 28.17, 29 rotatable bonds, 10 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]urea;1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea;1-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]-3-phenylurea is sourced from PubChem (CID 165001609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).