1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea;5-[7-(dimethylamino)quinazolin-4-yl]oxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-1-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-[4-[7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]quinazolin-4-yl]oxyphenyl]urea

C102H95F7N24O9 — CID 164962863

IUPAC1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea;5-[7-(dimethylamino)quinazolin-4-yl]oxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-1-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-[4-[7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]quinazolin-4-yl]oxyphenyl]urea
SMILESCN(C)c1ccc2c(Oc3ccc(NC(=O)Nc4ccc(F)cc4)cc3)ncnc2c1.CN(C)c1ccc2c(Oc3ccc4c(ccn4C(=O)NCc4ccc(C(F)(F)F)nc4)c3)ncnc2c1.COc1ccc(CNC(=O)Nc2ccc(Oc3ncnc4cc(N(C)C)ccc34)cc2)cn1.C[C@@H]1CN(c2ccc3c(Oc4ccc(NC(=O)NCc5ccc(C(F)(F)F)nc5)cc4)ncnc3c2)C[C@H](C)N1C
InChIInChI=1S/C29H30F3N7O2.C26H21F3N6O2.C24H24N6O3.C23H20FN5O2/c1-18-15-39(16-19(2)38(18)3)22-7-10-24-25(12-22)35-17-36-27(24)41-23-8-5-21(6-9-23)37-28(40)34-14-20-4-11-26(33-13-20)29(30,31)32;1-34(2)18-4-6-20-21(12-18)32-15-33-24(20)37-19-5-7-22-17(11-19)9-10-35(22)25(36)31-14-16-3-8-23(30-13-16)26(27,28)29;1-30(2)18-7-10-20-21(12-18)27-15-28-23(20)33-19-8-5-17(6-9-19)29-24(31)26-14-16-4-11-22(32-3)25-13-16;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/h4-13,17-19H,14-16H2,1-3H3,(H2,34,37,40);3-13,15H,14H2,1-2H3,(H,31,36);4-13,15H,14H2,1-3H3,(H2,26,29,31);3-14H,1-2H3,(H2,27,28,30)/t18-,19+;;;
InChIKeyCBSYSVREAQJFSH-LDQQLHBLSA-N
MW1934.03 g/mol
LogP20.79
Rot. Bonds23

About 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea;5-[7-(dimethylamino)quinazolin-4-yl]oxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-1-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-[4-[7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]quinazolin-4-yl]oxyphenyl]urea

1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea;5-[7-(dimethylamino)quinazolin-4-yl]oxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-1-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-[4-[7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]quinazolin-4-yl]oxyphenyl]urea (PubChem CID 164962863) has the molecular formula C102H95F7N24O9 and a molecular weight of 1934.03 g/mol. Its IUPAC name is 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea;5-[7-(dimethylamino)quinazolin-4-yl]oxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-1-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-[4-[7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]quinazolin-4-yl]oxyphenyl]urea.

Molecular Properties

Compound Name1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea;5-[7-(dimethylamino)quinazolin-4-yl]oxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-1-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-[4-[7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]quinazolin-4-yl]oxyphenyl]urea
PubChem CID164962863
Molecular FormulaC102H95F7N24O9
Molecular Weight1934.03 g/mol
Exact Mass1932.76
IUPAC Name1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea;5-[7-(dimethylamino)quinazolin-4-yl]oxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-1-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-[4-[7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]quinazolin-4-yl]oxyphenyl]urea
SMILESCN(C)c1ccc2c(Oc3ccc(NC(=O)Nc4ccc(F)cc4)cc3)ncnc2c1.CN(C)c1ccc2c(Oc3ccc4c(ccn4C(=O)NCc4ccc(C(F)(F)F)nc4)c3)ncnc2c1.COc1ccc(CNC(=O)Nc2ccc(Oc3ncnc4cc(N(C)C)ccc34)cc2)cn1.C[C@@H]1CN(c2ccc3c(Oc4ccc(NC(=O)NCc5ccc(C(F)(F)F)nc5)cc4)ncnc3c2)C[C@H](C)N1C
InChIInChI=1S/C29H30F3N7O2.C26H21F3N6O2.C24H24N6O3.C23H20FN5O2/c1-18-15-39(16-19(2)38(18)3)22-7-10-24-25(12-22)35-17-36-27(24)41-23-8-5-21(6-9-23)37-28(40)34-14-20-4-11-26(33-13-20)29(30,31)32;1-34(2)18-4-6-20-21(12-18)32-15-33-24(20)37-19-5-7-22-17(11-19)9-10-35(22)25(36)31-14-16-3-8-23(30-13-16)26(27,28)29;1-30(2)18-7-10-20-21(12-18)27-15-28-23(20)33-19-8-5-17(6-9-19)29-24(31)26-14-16-4-11-22(32-3)25-13-16;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/h4-13,17-19H,14-16H2,1-3H3,(H2,34,37,40);3-13,15H,14H2,1-2H3,(H,31,36);4-13,15H,14H2,1-3H3,(H2,26,29,31);3-14H,1-2H3,(H2,27,28,30)/t18-,19+;;;
InChIKeyCBSYSVREAQJFSH-LDQQLHBLSA-N
XLogP20.79
TPSA361.56 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds23
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001934.03
LogP ≤ 520.79
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

Analyze 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea;5-[7-(dimethylamino)quinazolin-4-yl]oxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-1-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-[4-[7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]quinazolin-4-yl]oxyphenyl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea;5-[7-(dimethylamino)quinazolin-4-yl]oxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-1-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-[4-[7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]quinazolin-4-yl]oxyphenyl]urea?
The IUPAC name of 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea;5-[7-(dimethylamino)quinazolin-4-yl]oxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-1-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-[4-[7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]quinazolin-4-yl]oxyphenyl]urea (CID 164962863) is 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea;5-[7-(dimethylamino)quinazolin-4-yl]oxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-1-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-[4-[7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]quinazolin-4-yl]oxyphenyl]urea.
What is the SMILES notation for 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea;5-[7-(dimethylamino)quinazolin-4-yl]oxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-1-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-[4-[7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]quinazolin-4-yl]oxyphenyl]urea?
The canonical SMILES for 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea;5-[7-(dimethylamino)quinazolin-4-yl]oxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-1-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-[4-[7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]quinazolin-4-yl]oxyphenyl]urea is CN(C)c1ccc2c(Oc3ccc(NC(=O)Nc4ccc(F)cc4)cc3)ncnc2c1.CN(C)c1ccc2c(Oc3ccc4c(ccn4C(=O)NCc4ccc(C(F)(F)F)nc4)c3)ncnc2c1.COc1ccc(CNC(=O)Nc2ccc(Oc3ncnc4cc(N(C)C)ccc34)cc2)cn1.C[C@@H]1CN(c2ccc3c(Oc4ccc(NC(=O)NCc5ccc(C(F)(F)F)nc5)cc4)ncnc3c2)C[C@H](C)N1C.
What is the InChIKey of 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea;5-[7-(dimethylamino)quinazolin-4-yl]oxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-1-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-[4-[7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]quinazolin-4-yl]oxyphenyl]urea?
The InChIKey is CBSYSVREAQJFSH-LDQQLHBLSA-N. The full InChI is InChI=1S/C29H30F3N7O2.C26H21F3N6O2.C24H24N6O3.C23H20FN5O2/c1-18-15-39(16-19(2)38(18)3)22-7-10-24-25(12-22)35-17-36-27(24)41-23-8-5-21(6-9-23)37-28(40)34-14-20-4-11-26(33-13-20)29(30,31)32;1-34(2)18-4-6-20-21(12-18)32-15-33-24(20)37-19-5-7-22-17(11-19)9-10-35(22)25(36)31-14-16-3-8-23(30-13-16)26(27,28)29;1-30(2)18-7-10-20-21(12-18)27-15-28-23(20)33-19-8-5-17(6-9-19)29-24(31)26-14-16-4-11-22(32-3)25-13-16;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/h4-13,17-19H,14-16H2,1-3H3,(H2,34,37,40);3-13,15H,14H2,1-2H3,(H,31,36);4-13,15H,14H2,1-3H3,(H2,26,29,31);3-14H,1-2H3,(H2,27,28,30)/t18-,19+;;;.
What are the key properties of 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea;5-[7-(dimethylamino)quinazolin-4-yl]oxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-1-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-[4-[7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]quinazolin-4-yl]oxyphenyl]urea?
1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea;5-[7-(dimethylamino)quinazolin-4-yl]oxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-1-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-[4-[7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]quinazolin-4-yl]oxyphenyl]urea has a molecular weight of 1934.03 g/mol, XLogP of 20.79, 23 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)urea;1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea;5-[7-(dimethylamino)quinazolin-4-yl]oxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-1-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-[4-[7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]quinazolin-4-yl]oxyphenyl]urea is sourced from PubChem (CID 164962863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).