4-chloro-6-methoxy-7-phenylmethoxyquinoline;cyclopentyl (2S)-2-amino-4-[6-methoxy-4-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-7-yl]oxybutanoate;cyclopentyl (2S)-4-[6-methoxy-4-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;1-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;N-(4-hydroxyphenyl)acetamide;4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyaniline;N-[4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]acetamide;1-[4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea

C199H181ClF12N20O33 — CID 159829035

IUPAC4-chloro-6-methoxy-7-phenylmethoxyquinoline;cyclopentyl (2S)-2-amino-4-[6-methoxy-4-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-7-yl]oxybutanoate;cyclopentyl (2S)-4-[6-methoxy-4-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;1-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;N-(4-hydroxyphenyl)acetamide;4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyaniline;N-[4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]acetamide;1-[4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESCC(=O)Nc1ccc(O)cc1.COc1cc2c(Cl)ccnc2cc1OCc1ccccc1.COc1cc2c(Oc3ccc(N)cc3)ccnc2cc1OCc1ccccc1.COc1cc2c(Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3)ccnc2cc1O.COc1cc2c(Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3)ccnc2cc1OCC[C@H](N)C(=O)OC1CCCC1.COc1cc2c(Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3)ccnc2cc1OCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC1CCCC1.COc1cc2c(Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3)ccnc2cc1OCc1ccccc1.COc1cc2c(Oc3ccc(NC(C)=O)cc3)ccnc2cc1OCc1ccccc1
InChIInChI=1S/C38H41F3N4O8.C33H33F3N4O6.C31H24F3N3O4.C25H22N2O4.C24H18F3N3O4.C23H20N2O3.C17H14ClNO2.C8H9NO2/c1-37(2,3)53-36(48)45-29(34(46)52-26-7-5-6-8-26)18-20-50-33-22-30-28(21-32(33)49-4)31(17-19-42-30)51-27-15-13-25(14-16-27)44-35(47)43-24-11-9-23(10-12-24)38(39,40)41;1-43-29-18-25-27(19-30(29)44-17-15-26(37)31(41)46-23-4-2-3-5-23)38-16-14-28(25)45-24-12-10-22(11-13-24)40-32(42)39-21-8-6-20(7-9-21)33(34,35)36;1-39-28-17-25-26(18-29(28)40-19-20-5-3-2-4-6-20)35-16-15-27(25)41-24-13-11-23(12-14-24)37-30(38)36-22-9-7-21(8-10-22)31(32,33)34;1-17(28)27-19-8-10-20(11-9-19)31-23-12-13-26-22-15-25(24(29-2)14-21(22)23)30-16-18-6-4-3-5-7-18;1-33-22-12-18-19(13-20(22)31)28-11-10-21(18)34-17-8-6-16(7-9-17)30-23(32)29-15-4-2-14(3-5-15)24(25,26)27;1-26-22-13-19-20(14-23(22)27-15-16-5-3-2-4-6-16)25-12-11-21(19)28-18-9-7-17(24)8-10-18;1-20-16-9-13-14(18)7-8-19-15(13)10-17(16)21-11-12-5-3-2-4-6-12;1-6(10)9-7-2-4-8(11)5-3-7/h9-17,19,21-22,26,29H,5-8,18,20H2,1-4H3,(H,45,48)(H2,43,44,47);6-14,16,18-19,23,26H,2-5,15,17,37H2,1H3,(H2,39,40,42);2-18H,19H2,1H3,(H2,36,37,38);3-15H,16H2,1-2H3,(H,27,28);2-13,31H,1H3,(H2,29,30,32);2-14H,15,24H2,1H3;2-10H,11H2,1H3;2-5,11H,1H3,(H,9,10)/t29-;26-;;;;;;/m00....../s1
InChIKeyNNFIIJDAJWXDGC-JAOYMTJWSA-N
MW3644.17 g/mol
LogP47.40
Rot. Bonds54

About 4-chloro-6-methoxy-7-phenylmethoxyquinoline;cyclopentyl (2S)-2-amino-4-[6-methoxy-4-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-7-yl]oxybutanoate;cyclopentyl (2S)-4-[6-methoxy-4-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;1-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;N-(4-hydroxyphenyl)acetamide;4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyaniline;N-[4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]acetamide;1-[4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea

4-chloro-6-methoxy-7-phenylmethoxyquinoline;cyclopentyl (2S)-2-amino-4-[6-methoxy-4-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-7-yl]oxybutanoate;cyclopentyl (2S)-4-[6-methoxy-4-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;1-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;N-(4-hydroxyphenyl)acetamide;4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyaniline;N-[4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]acetamide;1-[4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 159829035) has the molecular formula C199H181ClF12N20O33 and a molecular weight of 3644.17 g/mol. Its IUPAC name is 4-chloro-6-methoxy-7-phenylmethoxyquinoline;cyclopentyl (2S)-2-amino-4-[6-methoxy-4-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-7-yl]oxybutanoate;cyclopentyl (2S)-4-[6-methoxy-4-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;1-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;N-(4-hydroxyphenyl)acetamide;4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyaniline;N-[4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]acetamide;1-[4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name4-chloro-6-methoxy-7-phenylmethoxyquinoline;cyclopentyl (2S)-2-amino-4-[6-methoxy-4-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-7-yl]oxybutanoate;cyclopentyl (2S)-4-[6-methoxy-4-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;1-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;N-(4-hydroxyphenyl)acetamide;4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyaniline;N-[4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]acetamide;1-[4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID159829035
Molecular FormulaC199H181ClF12N20O33
Molecular Weight3644.17 g/mol
Exact Mass3641.26
IUPAC Name4-chloro-6-methoxy-7-phenylmethoxyquinoline;cyclopentyl (2S)-2-amino-4-[6-methoxy-4-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-7-yl]oxybutanoate;cyclopentyl (2S)-4-[6-methoxy-4-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;1-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;N-(4-hydroxyphenyl)acetamide;4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyaniline;N-[4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]acetamide;1-[4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESCC(=O)Nc1ccc(O)cc1.COc1cc2c(Cl)ccnc2cc1OCc1ccccc1.COc1cc2c(Oc3ccc(N)cc3)ccnc2cc1OCc1ccccc1.COc1cc2c(Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3)ccnc2cc1O.COc1cc2c(Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3)ccnc2cc1OCC[C@H](N)C(=O)OC1CCCC1.COc1cc2c(Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3)ccnc2cc1OCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC1CCCC1.COc1cc2c(Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3)ccnc2cc1OCc1ccccc1.COc1cc2c(Oc3ccc(NC(C)=O)cc3)ccnc2cc1OCc1ccccc1
InChIInChI=1S/C38H41F3N4O8.C33H33F3N4O6.C31H24F3N3O4.C25H22N2O4.C24H18F3N3O4.C23H20N2O3.C17H14ClNO2.C8H9NO2/c1-37(2,3)53-36(48)45-29(34(46)52-26-7-5-6-8-26)18-20-50-33-22-30-28(21-32(33)49-4)31(17-19-42-30)51-27-15-13-25(14-16-27)44-35(47)43-24-11-9-23(10-12-24)38(39,40)41;1-43-29-18-25-27(19-30(29)44-17-15-26(37)31(41)46-23-4-2-3-5-23)38-16-14-28(25)45-24-12-10-22(11-13-24)40-32(42)39-21-8-6-20(7-9-21)33(34,35)36;1-39-28-17-25-26(18-29(28)40-19-20-5-3-2-4-6-20)35-16-15-27(25)41-24-13-11-23(12-14-24)37-30(38)36-22-9-7-21(8-10-22)31(32,33)34;1-17(28)27-19-8-10-20(11-9-19)31-23-12-13-26-22-15-25(24(29-2)14-21(22)23)30-16-18-6-4-3-5-7-18;1-33-22-12-18-19(13-20(22)31)28-11-10-21(18)34-17-8-6-16(7-9-17)30-23(32)29-15-4-2-14(3-5-15)24(25,26)27;1-26-22-13-19-20(14-23(22)27-15-16-5-3-2-4-6-16)25-12-11-21(19)28-18-9-7-17(24)8-10-18;1-20-16-9-13-14(18)7-8-19-15(13)10-17(16)21-11-12-5-3-2-4-6-12;1-6(10)9-7-2-4-8(11)5-3-7/h9-17,19,21-22,26,29H,5-8,18,20H2,1-4H3,(H,45,48)(H2,43,44,47);6-14,16,18-19,23,26H,2-5,15,17,37H2,1H3,(H2,39,40,42);2-18H,19H2,1H3,(H2,36,37,38);3-15H,16H2,1-2H3,(H,27,28);2-13,31H,1H3,(H2,29,30,32);2-14H,15,24H2,1H3;2-10H,11H2,1H3;2-5,11H,1H3,(H,9,10)/t29-;26-;;;;;;/m00....../s1
InChIKeyNNFIIJDAJWXDGC-JAOYMTJWSA-N
XLogP47.40
TPSA671.75 Ų
H-Bond Donors15
H-Bond Acceptors42
Rotatable Bonds54
Heavy Atoms265
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003644.17
LogP ≤ 547.40
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 4-chloro-6-methoxy-7-phenylmethoxyquinoline;cyclopentyl (2S)-2-amino-4-[6-methoxy-4-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-7-yl]oxybutanoate;cyclopentyl (2S)-4-[6-methoxy-4-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;1-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;N-(4-hydroxyphenyl)acetamide;4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyaniline;N-[4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]acetamide;1-[4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-7-phenylmethoxyquinoline;cyclopentyl (2S)-2-amino-4-[6-methoxy-4-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-7-yl]oxybutanoate;cyclopentyl (2S)-4-[6-methoxy-4-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;1-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;N-(4-hydroxyphenyl)acetamide;4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyaniline;N-[4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]acetamide;1-[4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 4-chloro-6-methoxy-7-phenylmethoxyquinoline;cyclopentyl (2S)-2-amino-4-[6-methoxy-4-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-7-yl]oxybutanoate;cyclopentyl (2S)-4-[6-methoxy-4-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;1-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;N-(4-hydroxyphenyl)acetamide;4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyaniline;N-[4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]acetamide;1-[4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea (CID 159829035) is 4-chloro-6-methoxy-7-phenylmethoxyquinoline;cyclopentyl (2S)-2-amino-4-[6-methoxy-4-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-7-yl]oxybutanoate;cyclopentyl (2S)-4-[6-methoxy-4-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;1-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;N-(4-hydroxyphenyl)acetamide;4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyaniline;N-[4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]acetamide;1-[4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 4-chloro-6-methoxy-7-phenylmethoxyquinoline;cyclopentyl (2S)-2-amino-4-[6-methoxy-4-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-7-yl]oxybutanoate;cyclopentyl (2S)-4-[6-methoxy-4-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;1-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;N-(4-hydroxyphenyl)acetamide;4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyaniline;N-[4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]acetamide;1-[4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 4-chloro-6-methoxy-7-phenylmethoxyquinoline;cyclopentyl (2S)-2-amino-4-[6-methoxy-4-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-7-yl]oxybutanoate;cyclopentyl (2S)-4-[6-methoxy-4-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;1-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;N-(4-hydroxyphenyl)acetamide;4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyaniline;N-[4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]acetamide;1-[4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea is CC(=O)Nc1ccc(O)cc1.COc1cc2c(Cl)ccnc2cc1OCc1ccccc1.COc1cc2c(Oc3ccc(N)cc3)ccnc2cc1OCc1ccccc1.COc1cc2c(Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3)ccnc2cc1O.COc1cc2c(Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3)ccnc2cc1OCC[C@H](N)C(=O)OC1CCCC1.COc1cc2c(Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3)ccnc2cc1OCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC1CCCC1.COc1cc2c(Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3)ccnc2cc1OCc1ccccc1.COc1cc2c(Oc3ccc(NC(C)=O)cc3)ccnc2cc1OCc1ccccc1.
What is the InChIKey of 4-chloro-6-methoxy-7-phenylmethoxyquinoline;cyclopentyl (2S)-2-amino-4-[6-methoxy-4-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-7-yl]oxybutanoate;cyclopentyl (2S)-4-[6-methoxy-4-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;1-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;N-(4-hydroxyphenyl)acetamide;4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyaniline;N-[4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]acetamide;1-[4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is NNFIIJDAJWXDGC-JAOYMTJWSA-N. The full InChI is InChI=1S/C38H41F3N4O8.C33H33F3N4O6.C31H24F3N3O4.C25H22N2O4.C24H18F3N3O4.C23H20N2O3.C17H14ClNO2.C8H9NO2/c1-37(2,3)53-36(48)45-29(34(46)52-26-7-5-6-8-26)18-20-50-33-22-30-28(21-32(33)49-4)31(17-19-42-30)51-27-15-13-25(14-16-27)44-35(47)43-24-11-9-23(10-12-24)38(39,40)41;1-43-29-18-25-27(19-30(29)44-17-15-26(37)31(41)46-23-4-2-3-5-23)38-16-14-28(25)45-24-12-10-22(11-13-24)40-32(42)39-21-8-6-20(7-9-21)33(34,35)36;1-39-28-17-25-26(18-29(28)40-19-20-5-3-2-4-6-20)35-16-15-27(25)41-24-13-11-23(12-14-24)37-30(38)36-22-9-7-21(8-10-22)31(32,33)34;1-17(28)27-19-8-10-20(11-9-19)31-23-12-13-26-22-15-25(24(29-2)14-21(22)23)30-16-18-6-4-3-5-7-18;1-33-22-12-18-19(13-20(22)31)28-11-10-21(18)34-17-8-6-16(7-9-17)30-23(32)29-15-4-2-14(3-5-15)24(25,26)27;1-26-22-13-19-20(14-23(22)27-15-16-5-3-2-4-6-16)25-12-11-21(19)28-18-9-7-17(24)8-10-18;1-20-16-9-13-14(18)7-8-19-15(13)10-17(16)21-11-12-5-3-2-4-6-12;1-6(10)9-7-2-4-8(11)5-3-7/h9-17,19,21-22,26,29H,5-8,18,20H2,1-4H3,(H,45,48)(H2,43,44,47);6-14,16,18-19,23,26H,2-5,15,17,37H2,1H3,(H2,39,40,42);2-18H,19H2,1H3,(H2,36,37,38);3-15H,16H2,1-2H3,(H,27,28);2-13,31H,1H3,(H2,29,30,32);2-14H,15,24H2,1H3;2-10H,11H2,1H3;2-5,11H,1H3,(H,9,10)/t29-;26-;;;;;;/m00....../s1.
What are the key properties of 4-chloro-6-methoxy-7-phenylmethoxyquinoline;cyclopentyl (2S)-2-amino-4-[6-methoxy-4-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-7-yl]oxybutanoate;cyclopentyl (2S)-4-[6-methoxy-4-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;1-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;N-(4-hydroxyphenyl)acetamide;4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyaniline;N-[4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]acetamide;1-[4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea?
4-chloro-6-methoxy-7-phenylmethoxyquinoline;cyclopentyl (2S)-2-amino-4-[6-methoxy-4-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-7-yl]oxybutanoate;cyclopentyl (2S)-4-[6-methoxy-4-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;1-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;N-(4-hydroxyphenyl)acetamide;4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyaniline;N-[4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]acetamide;1-[4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 3644.17 g/mol, XLogP of 47.40, 54 rotatable bonds, 15 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-7-phenylmethoxyquinoline;cyclopentyl (2S)-2-amino-4-[6-methoxy-4-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-7-yl]oxybutanoate;cyclopentyl (2S)-4-[6-methoxy-4-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;1-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;N-(4-hydroxyphenyl)acetamide;4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyaniline;N-[4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]acetamide;1-[4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 159829035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).