1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea;ethyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoylamino]piperidine-1-carboxylate

C224H249N35O34 — CID 157457547

IUPAC1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea;ethyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2)CC1.COc1cc2nccc(Oc3ccc(NC(=O)NC4CC(C)(C)NC(C)(C)C4)cc3)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)NC4CCN(Cc5ccccc5C)CC4)cc3)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)N[C@@H]4CCN(Cc5ccccc5)C4)cc3)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)N[C@H]4CCN(Cc5ccccc5)C4)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)NC4CC(C)(C)NC(C)(C)C4)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)N[C@@H]4CCN(Cc5ccccc5)C4)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)N[C@H]4CCN(Cc5ccccc5)C4)cc3)c2cc1OC
InChIInChI=1S/C31H34N4O4.2C29H30N4O4.2C28H29N5O4.C27H34N4O4.C26H33N5O4.C26H30N4O6/c1-21-6-4-5-7-22(21)20-35-16-13-24(14-17-35)34-31(36)33-23-8-10-25(11-9-23)39-28-12-15-32-27-19-30(38-3)29(37-2)18-26(27)28;2*1-35-27-16-24-25(17-28(27)36-2)30-14-12-26(24)37-23-10-8-21(9-11-23)31-29(34)32-22-13-15-33(19-22)18-20-6-4-3-5-7-20;2*1-35-25-14-23-24(15-26(25)36-2)29-18-30-27(23)37-22-10-8-20(9-11-22)31-28(34)32-21-12-13-33(17-21)16-19-6-4-3-5-7-19;1-26(2)15-18(16-27(3,4)31-26)30-25(32)29-17-7-9-19(10-8-17)35-22-11-12-28-21-14-24(34-6)23(33-5)13-20(21)22;1-25(2)13-17(14-26(3,4)31-25)30-24(32)29-16-7-9-18(10-8-16)35-23-19-11-21(33-5)22(34-6)12-20(19)27-15-28-23;1-4-35-26(32)30-13-10-18(11-14-30)29-25(31)28-17-5-7-19(8-6-17)36-22-9-12-27-21-16-24(34-3)23(33-2)15-20(21)22/h4-12,15,18-19,24H,13-14,16-17,20H2,1-3H3,(H2,33,34,36);2*3-12,14,16-17,22H,13,15,18-19H2,1-2H3,(H2,31,32,34);2*3-11,14-15,18,21H,12-13,16-17H2,1-2H3,(H2,31,32,34);7-14,18,31H,15-16H2,1-6H3,(H2,29,30,32);7-12,15,17,31H,13-14H2,1-6H3,(H2,29,30,32);5-9,12,15-16,18H,4,10-11,13-14H2,1-3H3,(H2,28,29,31)/t;2*22-;2*21-;;;/m.1010.../s1
InChIKeyBTNQPBGDKCUGGC-GNIAUKGVSA-N
MW3975.67 g/mol
LogP41.82
Rot. Bonds59

About 1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea;ethyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoylamino]piperidine-1-carboxylate

1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea;ethyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoylamino]piperidine-1-carboxylate (PubChem CID 157457547) has the molecular formula C224H249N35O34 and a molecular weight of 3975.67 g/mol. Its IUPAC name is 1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea;ethyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Name1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea;ethyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoylamino]piperidine-1-carboxylate
PubChem CID157457547
Molecular FormulaC224H249N35O34
Molecular Weight3975.67 g/mol
Exact Mass3972.88
IUPAC Name1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea;ethyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2)CC1.COc1cc2nccc(Oc3ccc(NC(=O)NC4CC(C)(C)NC(C)(C)C4)cc3)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)NC4CCN(Cc5ccccc5C)CC4)cc3)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)N[C@@H]4CCN(Cc5ccccc5)C4)cc3)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)N[C@H]4CCN(Cc5ccccc5)C4)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)NC4CC(C)(C)NC(C)(C)C4)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)N[C@@H]4CCN(Cc5ccccc5)C4)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)N[C@H]4CCN(Cc5ccccc5)C4)cc3)c2cc1OC
InChIInChI=1S/C31H34N4O4.2C29H30N4O4.2C28H29N5O4.C27H34N4O4.C26H33N5O4.C26H30N4O6/c1-21-6-4-5-7-22(21)20-35-16-13-24(14-17-35)34-31(36)33-23-8-10-25(11-9-23)39-28-12-15-32-27-19-30(38-3)29(37-2)18-26(27)28;2*1-35-27-16-24-25(17-28(27)36-2)30-14-12-26(24)37-23-10-8-21(9-11-23)31-29(34)32-22-13-15-33(19-22)18-20-6-4-3-5-7-20;2*1-35-25-14-23-24(15-26(25)36-2)29-18-30-27(23)37-22-10-8-20(9-11-22)31-28(34)32-21-12-13-33(17-21)16-19-6-4-3-5-7-19;1-26(2)15-18(16-27(3,4)31-26)30-25(32)29-17-7-9-19(10-8-17)35-22-11-12-28-21-14-24(34-6)23(33-5)13-20(21)22;1-25(2)13-17(14-26(3,4)31-25)30-24(32)29-16-7-9-18(10-8-16)35-23-19-11-21(33-5)22(34-6)12-20(19)27-15-28-23;1-4-35-26(32)30-13-10-18(11-14-30)29-25(31)28-17-5-7-19(8-6-17)36-22-9-12-27-21-16-24(34-3)23(33-2)15-20(21)22/h4-12,15,18-19,24H,13-14,16-17,20H2,1-3H3,(H2,33,34,36);2*3-12,14,16-17,22H,13,15,18-19H2,1-2H3,(H2,31,32,34);2*3-11,14-15,18,21H,12-13,16-17H2,1-2H3,(H2,31,32,34);7-14,18,31H,15-16H2,1-6H3,(H2,29,30,32);7-12,15,17,31H,13-14H2,1-6H3,(H2,29,30,32);5-9,12,15-16,18H,4,10-11,13-14H2,1-3H3,(H2,28,29,31)/t;2*22-;2*21-;;;/m.1010.../s1
InChIKeyBTNQPBGDKCUGGC-GNIAUKGVSA-N
XLogP41.82
TPSA762.15 Ų
H-Bond Donors18
H-Bond Acceptors52
Rotatable Bonds59
Heavy Atoms293
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003975.67
LogP ≤ 541.82
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1052

Analyze 1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea;ethyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoylamino]piperidine-1-carboxylate with MolForge

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Related Compounds

4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-N-(4-isoquinolin-5-yloxyphenyl)piperazine-1-carboxamide
CID 10168074
4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-N-(4-quinolin-5-yloxyphenyl)piperazine-1-carboxamide
CID 10963192
4-[4-[[4-fluoro-3-[7-[4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxybutanoyl]-2-oxa-7-azaspiro[3.5]nonan-3-yl]-2-methyl-1H-indol-5-yl]oxy]-6-methoxyquinolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-1-one
CID 123171608
[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7-methoxyquinazolin-6-yl] (1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 146509556
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(2-piperazin-1-ylethoxy)quinazoline;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethoxy]quinazoline
CID 157810611
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-piperazin-1-ylpropoxy)quinazoline;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propoxy]quinazoline
CID 158270789
2-N-(1,3-benzodioxol-5-ylmethyl)-4-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-phenylquinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-[4-(trifluoromethyl)phenyl]quinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-2-isoquinolin-4-yl-6,7-dimethoxyquinazolin-4-amine
CID 159282190
5-(6,7-dimethoxyquinazolin-4-yl)oxy-4-fluoro-N-(4-methoxyphenyl)-2-methylindole-1-carboxamide;5-(6,7-dimethoxyquinazolin-4-yl)oxy-4-fluoro-2-methyl-N-(3-methylphenyl)indole-1-carboxamide;5-(6,7-dimethoxyquinazolin-4-yl)oxy-4-fluoro-2-methyl-N-[2-(trifluoromethyl)phenyl]indole-1-carboxamide;5-(6,7-dimethoxyquinazolin-4-yl)oxy-4-fluoro-2-methyl-N-[4-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 159520462
1-[3-(1,1-difluoroethyl)-1-(6-methyl-3-pyridinyl)pyrazol-5-yl]-3-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;3-(6,7-dimethoxyquinazolin-4-yl)oxyaniline;phenyl N-[3-(1,1-difluoroethyl)-1-(6-methyl-3-pyridinyl)pyrazol-5-yl]carbamate
CID 159759178
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(piperidin-4-ylmethoxy)quinazoline;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methoxy]quinazoline
CID 159968089
4-[4-(5-Benzylpyrimidin-2-yl)piperazin-1-yl]-7-methoxy-6-(pyrrolidin-3-ylmethoxy)quinazoline;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-6-[(1-methylpiperidin-4-yl)methoxy]quinazoline;6,7-dimethoxy-4-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]piperazin-1-yl]quinazoline
CID 161017697
N-benzyl-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-phenyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-2-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-3-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 163601579

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea;ethyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoylamino]piperidine-1-carboxylate?
The IUPAC name of 1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea;ethyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoylamino]piperidine-1-carboxylate (CID 157457547) is 1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea;ethyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoylamino]piperidine-1-carboxylate.
What is the SMILES notation for 1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea;ethyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoylamino]piperidine-1-carboxylate?
The canonical SMILES for 1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea;ethyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2)CC1.COc1cc2nccc(Oc3ccc(NC(=O)NC4CC(C)(C)NC(C)(C)C4)cc3)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)NC4CCN(Cc5ccccc5C)CC4)cc3)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)N[C@@H]4CCN(Cc5ccccc5)C4)cc3)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)N[C@H]4CCN(Cc5ccccc5)C4)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)NC4CC(C)(C)NC(C)(C)C4)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)N[C@@H]4CCN(Cc5ccccc5)C4)cc3)c2cc1OC.COc1cc2ncnc(Oc3ccc(NC(=O)N[C@H]4CCN(Cc5ccccc5)C4)cc3)c2cc1OC.
What is the InChIKey of 1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea;ethyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoylamino]piperidine-1-carboxylate?
The InChIKey is BTNQPBGDKCUGGC-GNIAUKGVSA-N. The full InChI is InChI=1S/C31H34N4O4.2C29H30N4O4.2C28H29N5O4.C27H34N4O4.C26H33N5O4.C26H30N4O6/c1-21-6-4-5-7-22(21)20-35-16-13-24(14-17-35)34-31(36)33-23-8-10-25(11-9-23)39-28-12-15-32-27-19-30(38-3)29(37-2)18-26(27)28;2*1-35-27-16-24-25(17-28(27)36-2)30-14-12-26(24)37-23-10-8-21(9-11-23)31-29(34)32-22-13-15-33(19-22)18-20-6-4-3-5-7-20;2*1-35-25-14-23-24(15-26(25)36-2)29-18-30-27(23)37-22-10-8-20(9-11-22)31-28(34)32-21-12-13-33(17-21)16-19-6-4-3-5-7-19;1-26(2)15-18(16-27(3,4)31-26)30-25(32)29-17-7-9-19(10-8-17)35-22-11-12-28-21-14-24(34-6)23(33-5)13-20(21)22;1-25(2)13-17(14-26(3,4)31-25)30-24(32)29-16-7-9-18(10-8-16)35-23-19-11-21(33-5)22(34-6)12-20(19)27-15-28-23;1-4-35-26(32)30-13-10-18(11-14-30)29-25(31)28-17-5-7-19(8-6-17)36-22-9-12-27-21-16-24(34-3)23(33-2)15-20(21)22/h4-12,15,18-19,24H,13-14,16-17,20H2,1-3H3,(H2,33,34,36);2*3-12,14,16-17,22H,13,15,18-19H2,1-2H3,(H2,31,32,34);2*3-11,14-15,18,21H,12-13,16-17H2,1-2H3,(H2,31,32,34);7-14,18,31H,15-16H2,1-6H3,(H2,29,30,32);7-12,15,17,31H,13-14H2,1-6H3,(H2,29,30,32);5-9,12,15-16,18H,4,10-11,13-14H2,1-3H3,(H2,28,29,31)/t;2*22-;2*21-;;;/m.1010.../s1.
What are the key properties of 1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea;ethyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoylamino]piperidine-1-carboxylate?
1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea;ethyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoylamino]piperidine-1-carboxylate has a molecular weight of 3975.67 g/mol, XLogP of 41.82, 59 rotatable bonds, 18 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea;ethyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 157457547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).