2-(bromomethyl)-1-methylpyrrolidine;cyclopentyl (2S)-2-amino-4-[(2S)-2-[[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]pyrrolidin-1-yl]butanoate;cyclopentyl (2S)-4-[(2S)-2-[[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl (2S)-4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;N-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;N-[4-[6-methoxy-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinolin-4-yl]oxyphenyl]benzamide;N-[4-[6-methoxy-7-[[(2S)-pyrrolidin-2-yl]methoxy]quinolin-4-yl]oxyphenyl]benzamide

C179H202Br2N18O30 — CID 157469757

IUPAC2-(bromomethyl)-1-methylpyrrolidine;cyclopentyl (2S)-2-amino-4-[(2S)-2-[[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]pyrrolidin-1-yl]butanoate;cyclopentyl (2S)-4-[(2S)-2-[[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl (2S)-4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;N-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;N-[4-[6-methoxy-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinolin-4-yl]oxyphenyl]benzamide;N-[4-[6-methoxy-7-[[(2S)-pyrrolidin-2-yl]methoxy]quinolin-4-yl]oxyphenyl]benzamide
SMILESCC(C)(C)OC(=O)N[C@@H](CCBr)C(=O)OC1CCCC1.CN1CCCC1CBr.COc1cc2c(Oc3ccc(NC(=O)c4ccccc4)cc3)ccnc2cc1O.COc1cc2c(Oc3ccc(NC(=O)c4ccccc4)cc3)ccnc2cc1OC[C@@H]1CCCN1.COc1cc2c(Oc3ccc(NC(=O)c4ccccc4)cc3)ccnc2cc1OC[C@@H]1CCCN1C.COc1cc2c(Oc3ccc(NC(=O)c4ccccc4)cc3)ccnc2cc1OC[C@@H]1CCCN1CC[C@H](N)C(=O)OC1CCCC1.COc1cc2c(Oc3ccc(NC(=O)c4ccccc4)cc3)ccnc2cc1OC[C@@H]1CCCN1CC[C@H](NC(=O)OC(C)(C)C)C(=O)OC1CCCC1
InChIInChI=1S/C42H50N4O8.C37H42N4O6.C29H29N3O4.C28H27N3O4.C23H18N2O4.C14H24BrNO4.C6H12BrN/c1-42(2,3)54-41(49)45-34(40(48)53-31-14-8-9-15-31)21-24-46-23-10-13-30(46)27-51-38-26-35-33(25-37(38)50-4)36(20-22-43-35)52-32-18-16-29(17-19-32)44-39(47)28-11-6-5-7-12-28;1-44-34-22-30-32(39-19-17-33(30)46-29-15-13-26(14-16-29)40-36(42)25-8-3-2-4-9-25)23-35(34)45-24-27-10-7-20-41(27)21-18-31(38)37(43)47-28-11-5-6-12-28;1-32-16-6-9-22(32)19-35-28-18-25-24(17-27(28)34-2)26(14-15-30-25)36-23-12-10-21(11-13-23)31-29(33)20-7-4-3-5-8-20;1-33-26-16-23-24(17-27(26)34-18-21-8-5-14-29-21)30-15-13-25(23)35-22-11-9-20(10-12-22)31-28(32)19-6-3-2-4-7-19;1-28-22-13-18-19(14-20(22)26)24-12-11-21(18)29-17-9-7-16(8-10-17)25-23(27)15-5-3-2-4-6-15;1-14(2,3)20-13(18)16-11(8-9-15)12(17)19-10-6-4-5-7-10;1-8-4-2-3-6(8)5-7/h5-7,11-12,16-20,22,25-26,30-31,34H,8-10,13-15,21,23-24,27H2,1-4H3,(H,44,47)(H,45,49);2-4,8-9,13-17,19,22-23,27-28,31H,5-7,10-12,18,20-21,24,38H2,1H3,(H,40,42);3-5,7-8,10-15,17-18,22H,6,9,16,19H2,1-2H3,(H,31,33);2-4,6-7,9-13,15-17,21,29H,5,8,14,18H2,1H3,(H,31,32);2-14,26H,1H3,(H,25,27);10-11H,4-9H2,1-3H3,(H,16,18);6H,2-5H2,1H3/t30-,34-;27-,31-;22-;21-;;11-;/m0000.0./s1
InChIKeyBUWVPPMHTINYRH-FAYGSQPXSA-N
MW3245.49 g/mol
LogP35.03
Rot. Bonds54

About 2-(bromomethyl)-1-methylpyrrolidine;cyclopentyl (2S)-2-amino-4-[(2S)-2-[[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]pyrrolidin-1-yl]butanoate;cyclopentyl (2S)-4-[(2S)-2-[[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl (2S)-4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;N-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;N-[4-[6-methoxy-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinolin-4-yl]oxyphenyl]benzamide;N-[4-[6-methoxy-7-[[(2S)-pyrrolidin-2-yl]methoxy]quinolin-4-yl]oxyphenyl]benzamide

2-(bromomethyl)-1-methylpyrrolidine;cyclopentyl (2S)-2-amino-4-[(2S)-2-[[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]pyrrolidin-1-yl]butanoate;cyclopentyl (2S)-4-[(2S)-2-[[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl (2S)-4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;N-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;N-[4-[6-methoxy-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinolin-4-yl]oxyphenyl]benzamide;N-[4-[6-methoxy-7-[[(2S)-pyrrolidin-2-yl]methoxy]quinolin-4-yl]oxyphenyl]benzamide (PubChem CID 157469757) has the molecular formula C179H202Br2N18O30 and a molecular weight of 3245.49 g/mol. Its IUPAC name is 2-(bromomethyl)-1-methylpyrrolidine;cyclopentyl (2S)-2-amino-4-[(2S)-2-[[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]pyrrolidin-1-yl]butanoate;cyclopentyl (2S)-4-[(2S)-2-[[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl (2S)-4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;N-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;N-[4-[6-methoxy-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinolin-4-yl]oxyphenyl]benzamide;N-[4-[6-methoxy-7-[[(2S)-pyrrolidin-2-yl]methoxy]quinolin-4-yl]oxyphenyl]benzamide.

Molecular Properties

Compound Name2-(bromomethyl)-1-methylpyrrolidine;cyclopentyl (2S)-2-amino-4-[(2S)-2-[[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]pyrrolidin-1-yl]butanoate;cyclopentyl (2S)-4-[(2S)-2-[[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl (2S)-4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;N-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;N-[4-[6-methoxy-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinolin-4-yl]oxyphenyl]benzamide;N-[4-[6-methoxy-7-[[(2S)-pyrrolidin-2-yl]methoxy]quinolin-4-yl]oxyphenyl]benzamide
PubChem CID157469757
Molecular FormulaC179H202Br2N18O30
Molecular Weight3245.49 g/mol
Exact Mass3241.32
IUPAC Name2-(bromomethyl)-1-methylpyrrolidine;cyclopentyl (2S)-2-amino-4-[(2S)-2-[[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]pyrrolidin-1-yl]butanoate;cyclopentyl (2S)-4-[(2S)-2-[[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl (2S)-4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;N-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;N-[4-[6-methoxy-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinolin-4-yl]oxyphenyl]benzamide;N-[4-[6-methoxy-7-[[(2S)-pyrrolidin-2-yl]methoxy]quinolin-4-yl]oxyphenyl]benzamide
SMILESCC(C)(C)OC(=O)N[C@@H](CCBr)C(=O)OC1CCCC1.CN1CCCC1CBr.COc1cc2c(Oc3ccc(NC(=O)c4ccccc4)cc3)ccnc2cc1O.COc1cc2c(Oc3ccc(NC(=O)c4ccccc4)cc3)ccnc2cc1OC[C@@H]1CCCN1.COc1cc2c(Oc3ccc(NC(=O)c4ccccc4)cc3)ccnc2cc1OC[C@@H]1CCCN1C.COc1cc2c(Oc3ccc(NC(=O)c4ccccc4)cc3)ccnc2cc1OC[C@@H]1CCCN1CC[C@H](N)C(=O)OC1CCCC1.COc1cc2c(Oc3ccc(NC(=O)c4ccccc4)cc3)ccnc2cc1OC[C@@H]1CCCN1CC[C@H](NC(=O)OC(C)(C)C)C(=O)OC1CCCC1
InChIInChI=1S/C42H50N4O8.C37H42N4O6.C29H29N3O4.C28H27N3O4.C23H18N2O4.C14H24BrNO4.C6H12BrN/c1-42(2,3)54-41(49)45-34(40(48)53-31-14-8-9-15-31)21-24-46-23-10-13-30(46)27-51-38-26-35-33(25-37(38)50-4)36(20-22-43-35)52-32-18-16-29(17-19-32)44-39(47)28-11-6-5-7-12-28;1-44-34-22-30-32(39-19-17-33(30)46-29-15-13-26(14-16-29)40-36(42)25-8-3-2-4-9-25)23-35(34)45-24-27-10-7-20-41(27)21-18-31(38)37(43)47-28-11-5-6-12-28;1-32-16-6-9-22(32)19-35-28-18-25-24(17-27(28)34-2)26(14-15-30-25)36-23-12-10-21(11-13-23)31-29(33)20-7-4-3-5-8-20;1-33-26-16-23-24(17-27(26)34-18-21-8-5-14-29-21)30-15-13-25(23)35-22-11-9-20(10-12-22)31-28(32)19-6-3-2-4-7-19;1-28-22-13-18-19(14-20(22)26)24-12-11-21(18)29-17-9-7-16(8-10-17)25-23(27)15-5-3-2-4-6-15;1-14(2,3)20-13(18)16-11(8-9-15)12(17)19-10-6-4-5-7-10;1-8-4-2-3-6(8)5-7/h5-7,11-12,16-20,22,25-26,30-31,34H,8-10,13-15,21,23-24,27H2,1-4H3,(H,44,47)(H,45,49);2-4,8-9,13-17,19,22-23,27-28,31H,5-7,10-12,18,20-21,24,38H2,1H3,(H,40,42);3-5,7-8,10-15,17-18,22H,6,9,16,19H2,1-2H3,(H,31,33);2-4,6-7,9-13,15-17,21,29H,5,8,14,18H2,1H3,(H,31,32);2-14,26H,1H3,(H,25,27);10-11H,4-9H2,1-3H3,(H,16,18);6H,2-5H2,1H3/t30-,34-;27-,31-;22-;21-;;11-;/m0000.0./s1
InChIKeyBUWVPPMHTINYRH-FAYGSQPXSA-N
XLogP35.03
TPSA565.97 Ų
H-Bond Donors10
H-Bond Acceptors41
Rotatable Bonds54
Heavy Atoms229
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003245.49
LogP ≤ 535.03
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(bromomethyl)-1-methylpyrrolidine;cyclopentyl (2S)-2-amino-4-[(2S)-2-[[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]pyrrolidin-1-yl]butanoate;cyclopentyl (2S)-4-[(2S)-2-[[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl (2S)-4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;N-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;N-[4-[6-methoxy-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinolin-4-yl]oxyphenyl]benzamide;N-[4-[6-methoxy-7-[[(2S)-pyrrolidin-2-yl]methoxy]quinolin-4-yl]oxyphenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-6-methoxyquinolin-7-ol;cyclopentyl (2S)-2-amino-4-(4-chloro-6-methoxyquinolin-7-yl)oxybutanoate;cyclopentyl (2S)-2-amino-4-[6-methoxy-4-[4-[[4-(trifluoromethyl)benzoyl]amino]phenoxy]quinolin-7-yl]oxybutanoate;cyclopentyl (2R)-2-(benzylamino)-4-(4-chloro-6-methoxyquinolin-7-yl)oxybutanoate;cyclopentyl (2R)-4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl (2R)-4-(4-chloro-6-methoxyquinolin-7-yl)oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl (2S)-4-[6-methoxy-4-[4-[[4-(trifluoromethyl)benzoyl]amino]phenoxy]quinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;N-(4-hydroxyphenyl)-4-(trifluoromethyl)benzamide;methane
CID 159101948
cyclopentyl (2S)-4-[(2S)-2-[[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 57699862
cyclopentyl 4-[(2S)-2-[[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 67265089
(S)-4-{2-[4-(4-Benzoylamino-phenoxy)-6-methoxy-quinolin-7 yloxymethyl]-pyrrolidin-1-yl}-2-tert-butoxycarbonylamino-butyric Acid Cyclopentyl Ester
CID 67265090
(1,3-dioxoisoindol-2-yl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate;2-(1,3-dioxoisoindol-2-yl)ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;2-(1,3-dioxoisoindol-2-yl)ethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate;(1,3-dioxoisoindol-2-yl)methyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;(1,3-dioxoisoindol-2-yl)methyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate;heptan-2-yl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;3-morpholin-4-ylpropyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate;3-morpholin-4-ylpropyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate;3-piperidin-1-ylpropyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]carbamate;3-piperidin-1-ylpropyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate
CID 157335127
N-(cyclopentylmethyl)-6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;6-methoxy-2-(5-methylfuran-2-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;6-methoxy-2-(5-methylfuran-2-yl)-N-pyridin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine;4-[[6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]amino]-1-methylpiperidin-2-one
CID 157587040
3-bromo-4-chloro-6-methoxy-7-phenylmethoxyquinoline;N-[4-(3-bromo-7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;3-bromo-6-methoxy-7-phenylmethoxy-1H-quinolin-4-one;N-[4-(3-bromo-6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]benzamide;cyclopentyl (2S)-2-amino-4-[4-(4-benzamidophenoxy)-3-bromo-6-methoxyquinolin-7-yl]oxybutanoate;cyclopentyl (2S)-4-[4-(4-benzamidophenoxy)-3-bromo-6-methoxyquinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl (2S)-4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methane;6-methoxy-7-phenylmethoxy-1H-quinolin-4-one
CID 158338824
4-aminophenol;benzoyl chloride;4-chloro-6-methoxy-7-phenylmethoxyquinoline;cyclopentyl (2S)-2-amino-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxybutanoate;cyclopentyl (2S)-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl (2S)-4-hydroxy-2-methylbutanoate;N,N-diethylethanamine;N-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;bis(N-(4-hydroxyphenyl)benzamide);N-[4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]benzamide
CID 158538087
4-aminophenol;benzoyl chloride;4-chloro-6-methoxy-7-phenylmethoxyquinoline;cyclopentyl (2S)-2-amino-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxybutanoate;cyclopentyl (2S)-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl 4-hydroxy-2-methylbutanoate;N,N-diethylethanamine;N-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;bis(N-(4-hydroxyphenyl)benzamide);N-[4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]benzamide
CID 158538088
N-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;methane;(3-methylcyclopentyl) (2S)-2-amino-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxybutanoate;(3-methylcyclopentyl) (2S)-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;(3-methylcyclopentyl) (2S)-4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 158670186
(2S)-2-amino-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxybutanoic acid;(2S)-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;methane
CID 159055018
6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline;ethyl 8,9-di(propan-2-yloxy)-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 3-phenyl-8,9-di(propan-2-yloxy)-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-phenyl-8,9-di(propan-2-yloxy)-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide;1-methyl-6,7-di(propan-2-yloxy)-3,4-dihydroisoquinoline;3-phenyl-8,9-di(propan-2-yloxy)-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid
CID 159687165

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1-methylpyrrolidine;cyclopentyl (2S)-2-amino-4-[(2S)-2-[[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]pyrrolidin-1-yl]butanoate;cyclopentyl (2S)-4-[(2S)-2-[[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl (2S)-4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;N-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;N-[4-[6-methoxy-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinolin-4-yl]oxyphenyl]benzamide;N-[4-[6-methoxy-7-[[(2S)-pyrrolidin-2-yl]methoxy]quinolin-4-yl]oxyphenyl]benzamide?
The IUPAC name of 2-(bromomethyl)-1-methylpyrrolidine;cyclopentyl (2S)-2-amino-4-[(2S)-2-[[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]pyrrolidin-1-yl]butanoate;cyclopentyl (2S)-4-[(2S)-2-[[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl (2S)-4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;N-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;N-[4-[6-methoxy-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinolin-4-yl]oxyphenyl]benzamide;N-[4-[6-methoxy-7-[[(2S)-pyrrolidin-2-yl]methoxy]quinolin-4-yl]oxyphenyl]benzamide (CID 157469757) is 2-(bromomethyl)-1-methylpyrrolidine;cyclopentyl (2S)-2-amino-4-[(2S)-2-[[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]pyrrolidin-1-yl]butanoate;cyclopentyl (2S)-4-[(2S)-2-[[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl (2S)-4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;N-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;N-[4-[6-methoxy-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinolin-4-yl]oxyphenyl]benzamide;N-[4-[6-methoxy-7-[[(2S)-pyrrolidin-2-yl]methoxy]quinolin-4-yl]oxyphenyl]benzamide.
What is the SMILES notation for 2-(bromomethyl)-1-methylpyrrolidine;cyclopentyl (2S)-2-amino-4-[(2S)-2-[[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]pyrrolidin-1-yl]butanoate;cyclopentyl (2S)-4-[(2S)-2-[[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl (2S)-4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;N-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;N-[4-[6-methoxy-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinolin-4-yl]oxyphenyl]benzamide;N-[4-[6-methoxy-7-[[(2S)-pyrrolidin-2-yl]methoxy]quinolin-4-yl]oxyphenyl]benzamide?
The canonical SMILES for 2-(bromomethyl)-1-methylpyrrolidine;cyclopentyl (2S)-2-amino-4-[(2S)-2-[[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]pyrrolidin-1-yl]butanoate;cyclopentyl (2S)-4-[(2S)-2-[[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl (2S)-4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;N-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;N-[4-[6-methoxy-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinolin-4-yl]oxyphenyl]benzamide;N-[4-[6-methoxy-7-[[(2S)-pyrrolidin-2-yl]methoxy]quinolin-4-yl]oxyphenyl]benzamide is CC(C)(C)OC(=O)N[C@@H](CCBr)C(=O)OC1CCCC1.CN1CCCC1CBr.COc1cc2c(Oc3ccc(NC(=O)c4ccccc4)cc3)ccnc2cc1O.COc1cc2c(Oc3ccc(NC(=O)c4ccccc4)cc3)ccnc2cc1OC[C@@H]1CCCN1.COc1cc2c(Oc3ccc(NC(=O)c4ccccc4)cc3)ccnc2cc1OC[C@@H]1CCCN1C.COc1cc2c(Oc3ccc(NC(=O)c4ccccc4)cc3)ccnc2cc1OC[C@@H]1CCCN1CC[C@H](N)C(=O)OC1CCCC1.COc1cc2c(Oc3ccc(NC(=O)c4ccccc4)cc3)ccnc2cc1OC[C@@H]1CCCN1CC[C@H](NC(=O)OC(C)(C)C)C(=O)OC1CCCC1.
What is the InChIKey of 2-(bromomethyl)-1-methylpyrrolidine;cyclopentyl (2S)-2-amino-4-[(2S)-2-[[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]pyrrolidin-1-yl]butanoate;cyclopentyl (2S)-4-[(2S)-2-[[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl (2S)-4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;N-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;N-[4-[6-methoxy-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinolin-4-yl]oxyphenyl]benzamide;N-[4-[6-methoxy-7-[[(2S)-pyrrolidin-2-yl]methoxy]quinolin-4-yl]oxyphenyl]benzamide?
The InChIKey is BUWVPPMHTINYRH-FAYGSQPXSA-N. The full InChI is InChI=1S/C42H50N4O8.C37H42N4O6.C29H29N3O4.C28H27N3O4.C23H18N2O4.C14H24BrNO4.C6H12BrN/c1-42(2,3)54-41(49)45-34(40(48)53-31-14-8-9-15-31)21-24-46-23-10-13-30(46)27-51-38-26-35-33(25-37(38)50-4)36(20-22-43-35)52-32-18-16-29(17-19-32)44-39(47)28-11-6-5-7-12-28;1-44-34-22-30-32(39-19-17-33(30)46-29-15-13-26(14-16-29)40-36(42)25-8-3-2-4-9-25)23-35(34)45-24-27-10-7-20-41(27)21-18-31(38)37(43)47-28-11-5-6-12-28;1-32-16-6-9-22(32)19-35-28-18-25-24(17-27(28)34-2)26(14-15-30-25)36-23-12-10-21(11-13-23)31-29(33)20-7-4-3-5-8-20;1-33-26-16-23-24(17-27(26)34-18-21-8-5-14-29-21)30-15-13-25(23)35-22-11-9-20(10-12-22)31-28(32)19-6-3-2-4-7-19;1-28-22-13-18-19(14-20(22)26)24-12-11-21(18)29-17-9-7-16(8-10-17)25-23(27)15-5-3-2-4-6-15;1-14(2,3)20-13(18)16-11(8-9-15)12(17)19-10-6-4-5-7-10;1-8-4-2-3-6(8)5-7/h5-7,11-12,16-20,22,25-26,30-31,34H,8-10,13-15,21,23-24,27H2,1-4H3,(H,44,47)(H,45,49);2-4,8-9,13-17,19,22-23,27-28,31H,5-7,10-12,18,20-21,24,38H2,1H3,(H,40,42);3-5,7-8,10-15,17-18,22H,6,9,16,19H2,1-2H3,(H,31,33);2-4,6-7,9-13,15-17,21,29H,5,8,14,18H2,1H3,(H,31,32);2-14,26H,1H3,(H,25,27);10-11H,4-9H2,1-3H3,(H,16,18);6H,2-5H2,1H3/t30-,34-;27-,31-;22-;21-;;11-;/m0000.0./s1.
What are the key properties of 2-(bromomethyl)-1-methylpyrrolidine;cyclopentyl (2S)-2-amino-4-[(2S)-2-[[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]pyrrolidin-1-yl]butanoate;cyclopentyl (2S)-4-[(2S)-2-[[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl (2S)-4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;N-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;N-[4-[6-methoxy-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinolin-4-yl]oxyphenyl]benzamide;N-[4-[6-methoxy-7-[[(2S)-pyrrolidin-2-yl]methoxy]quinolin-4-yl]oxyphenyl]benzamide?
2-(bromomethyl)-1-methylpyrrolidine;cyclopentyl (2S)-2-amino-4-[(2S)-2-[[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]pyrrolidin-1-yl]butanoate;cyclopentyl (2S)-4-[(2S)-2-[[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl (2S)-4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;N-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;N-[4-[6-methoxy-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinolin-4-yl]oxyphenyl]benzamide;N-[4-[6-methoxy-7-[[(2S)-pyrrolidin-2-yl]methoxy]quinolin-4-yl]oxyphenyl]benzamide has a molecular weight of 3245.49 g/mol, XLogP of 35.03, 54 rotatable bonds, 10 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1-methylpyrrolidine;cyclopentyl (2S)-2-amino-4-[(2S)-2-[[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]pyrrolidin-1-yl]butanoate;cyclopentyl (2S)-4-[(2S)-2-[[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl (2S)-4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;N-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;N-[4-[6-methoxy-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinolin-4-yl]oxyphenyl]benzamide;N-[4-[6-methoxy-7-[[(2S)-pyrrolidin-2-yl]methoxy]quinolin-4-yl]oxyphenyl]benzamide is sourced from PubChem (CID 157469757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).