1-[2-amino-4,5-bis(2-methoxyethoxy)phenyl]ethanone;1-[4,5-bis(2-methoxyethoxy)-2-nitrophenyl]ethanone;1-[3,4-bis(2-methoxyethoxy)phenyl]ethanone;6,7-bis(2-methoxyethoxy)-1H-quinolin-4-one;4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluoroaniline;N-[4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluorophenyl]oxolan-2-amine;1-bromo-2-methoxyethane;1,2-difluoro-4-nitrobenzene;1-(3,4-dihydroxyphenyl)ethanone;N-ethyl-N-propan-2-ylpropan-2-amine;4-(2-fluoro-4-nitrophenoxy)-6,7-bis(2-methoxyethoxy)quinoline;3-methyl-2-oxoimidazolidine-1-carbonyl chloride

C154H196BrClF5N13O48 — CID 161265934

IUPAC1-[2-amino-4,5-bis(2-methoxyethoxy)phenyl]ethanone;1-[4,5-bis(2-methoxyethoxy)-2-nitrophenyl]ethanone;1-[3,4-bis(2-methoxyethoxy)phenyl]ethanone;6,7-bis(2-methoxyethoxy)-1H-quinolin-4-one;4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluoroaniline;N-[4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluorophenyl]oxolan-2-amine;1-bromo-2-methoxyethane;1,2-difluoro-4-nitrobenzene;1-(3,4-dihydroxyphenyl)ethanone;N-ethyl-N-propan-2-ylpropan-2-amine;4-(2-fluoro-4-nitrophenoxy)-6,7-bis(2-methoxyethoxy)quinoline;3-methyl-2-oxoimidazolidine-1-carbonyl chloride
SMILESCC(=O)c1ccc(O)c(O)c1.CCN(C(C)C)C(C)C.CN1CCN(C(=O)Cl)C1=O.COCCBr.COCCOc1cc(C(C)=O)c([N+](=O)[O-])cc1OCCOC.COCCOc1cc(N)c(C(C)=O)cc1OCCOC.COCCOc1cc2[nH]ccc(=O)c2cc1OCCOC.COCCOc1cc2nccc(Oc3ccc(N)cc3F)c2cc1OCCOC.COCCOc1cc2nccc(Oc3ccc(NC4CCCO4)cc3F)c2cc1OCCOC.COCCOc1cc2nccc(Oc3ccc([N+](=O)[O-])cc3F)c2cc1OCCOC.COCCOc1ccc(C(C)=O)cc1OCCOC.O=[N+]([O-])c1ccc(F)c(F)c1
InChIInChI=1S/C25H29FN2O6.C21H21FN2O7.C21H23FN2O5.C15H19NO5.C14H19NO7.C14H21NO5.C14H20O5.C8H19N.C8H8O3.C6H3F2NO2.C5H7ClN2O2.C3H7BrO/c1-29-10-12-31-23-15-18-20(16-24(23)32-13-11-30-2)27-8-7-21(18)34-22-6-5-17(14-19(22)26)28-25-4-3-9-33-25;1-27-7-9-29-20-12-15-17(13-21(20)30-10-8-28-2)23-6-5-18(15)31-19-4-3-14(24(25)26)11-16(19)22;1-25-7-9-27-20-12-15-17(13-21(20)28-10-8-26-2)24-6-5-18(15)29-19-4-3-14(23)11-16(19)22;1-18-5-7-20-14-9-11-12(16-4-3-13(11)17)10-15(14)21-8-6-19-2;1-10(16)11-8-13(21-6-4-19-2)14(22-7-5-20-3)9-12(11)15(17)18;1-10(16)11-8-13(19-6-4-17-2)14(9-12(11)15)20-7-5-18-3;1-11(15)12-4-5-13(18-8-6-16-2)14(10-12)19-9-7-17-3;1-6-9(7(2)3)8(4)5;1-5(9)6-2-3-7(10)8(11)4-6;7-5-2-1-4(9(10)11)3-6(5)8;1-7-2-3-8(4(6)9)5(7)10;1-5-3-2-4/h5-8,14-16,25,28H,3-4,9-13H2,1-2H3;3-6,11-13H,7-10H2,1-2H3;3-6,11-13H,7-10,23H2,1-2H3;3-4,9-10H,5-8H2,1-2H3,(H,16,17);8-9H,4-7H2,1-3H3;8-9H,4-7,15H2,1-3H3;4-5,10H,6-9H2,1-3H3;7-8H,6H2,1-5H3;2-4,10-11H,1H3;1-3H;2-3H2,1H3;2-3H2,1H3
InChIKeyVDEMGMXMNIAUNS-UHFFFAOYSA-N
MW3207.65 g/mol
LogP26.62
Rot. Bonds76

About 1-[2-amino-4,5-bis(2-methoxyethoxy)phenyl]ethanone;1-[4,5-bis(2-methoxyethoxy)-2-nitrophenyl]ethanone;1-[3,4-bis(2-methoxyethoxy)phenyl]ethanone;6,7-bis(2-methoxyethoxy)-1H-quinolin-4-one;4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluoroaniline;N-[4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluorophenyl]oxolan-2-amine;1-bromo-2-methoxyethane;1,2-difluoro-4-nitrobenzene;1-(3,4-dihydroxyphenyl)ethanone;N-ethyl-N-propan-2-ylpropan-2-amine;4-(2-fluoro-4-nitrophenoxy)-6,7-bis(2-methoxyethoxy)quinoline;3-methyl-2-oxoimidazolidine-1-carbonyl chloride

1-[2-amino-4,5-bis(2-methoxyethoxy)phenyl]ethanone;1-[4,5-bis(2-methoxyethoxy)-2-nitrophenyl]ethanone;1-[3,4-bis(2-methoxyethoxy)phenyl]ethanone;6,7-bis(2-methoxyethoxy)-1H-quinolin-4-one;4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluoroaniline;N-[4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluorophenyl]oxolan-2-amine;1-bromo-2-methoxyethane;1,2-difluoro-4-nitrobenzene;1-(3,4-dihydroxyphenyl)ethanone;N-ethyl-N-propan-2-ylpropan-2-amine;4-(2-fluoro-4-nitrophenoxy)-6,7-bis(2-methoxyethoxy)quinoline;3-methyl-2-oxoimidazolidine-1-carbonyl chloride (PubChem CID 161265934) has the molecular formula C154H196BrClF5N13O48 and a molecular weight of 3207.65 g/mol. Its IUPAC name is 1-[2-amino-4,5-bis(2-methoxyethoxy)phenyl]ethanone;1-[4,5-bis(2-methoxyethoxy)-2-nitrophenyl]ethanone;1-[3,4-bis(2-methoxyethoxy)phenyl]ethanone;6,7-bis(2-methoxyethoxy)-1H-quinolin-4-one;4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluoroaniline;N-[4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluorophenyl]oxolan-2-amine;1-bromo-2-methoxyethane;1,2-difluoro-4-nitrobenzene;1-(3,4-dihydroxyphenyl)ethanone;N-ethyl-N-propan-2-ylpropan-2-amine;4-(2-fluoro-4-nitrophenoxy)-6,7-bis(2-methoxyethoxy)quinoline;3-methyl-2-oxoimidazolidine-1-carbonyl chloride.

Molecular Properties

Compound Name1-[2-amino-4,5-bis(2-methoxyethoxy)phenyl]ethanone;1-[4,5-bis(2-methoxyethoxy)-2-nitrophenyl]ethanone;1-[3,4-bis(2-methoxyethoxy)phenyl]ethanone;6,7-bis(2-methoxyethoxy)-1H-quinolin-4-one;4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluoroaniline;N-[4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluorophenyl]oxolan-2-amine;1-bromo-2-methoxyethane;1,2-difluoro-4-nitrobenzene;1-(3,4-dihydroxyphenyl)ethanone;N-ethyl-N-propan-2-ylpropan-2-amine;4-(2-fluoro-4-nitrophenoxy)-6,7-bis(2-methoxyethoxy)quinoline;3-methyl-2-oxoimidazolidine-1-carbonyl chloride
PubChem CID161265934
Molecular FormulaC154H196BrClF5N13O48
Molecular Weight3207.65 g/mol
Exact Mass3204.21
IUPAC Name1-[2-amino-4,5-bis(2-methoxyethoxy)phenyl]ethanone;1-[4,5-bis(2-methoxyethoxy)-2-nitrophenyl]ethanone;1-[3,4-bis(2-methoxyethoxy)phenyl]ethanone;6,7-bis(2-methoxyethoxy)-1H-quinolin-4-one;4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluoroaniline;N-[4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluorophenyl]oxolan-2-amine;1-bromo-2-methoxyethane;1,2-difluoro-4-nitrobenzene;1-(3,4-dihydroxyphenyl)ethanone;N-ethyl-N-propan-2-ylpropan-2-amine;4-(2-fluoro-4-nitrophenoxy)-6,7-bis(2-methoxyethoxy)quinoline;3-methyl-2-oxoimidazolidine-1-carbonyl chloride
SMILESCC(=O)c1ccc(O)c(O)c1.CCN(C(C)C)C(C)C.CN1CCN(C(=O)Cl)C1=O.COCCBr.COCCOc1cc(C(C)=O)c([N+](=O)[O-])cc1OCCOC.COCCOc1cc(N)c(C(C)=O)cc1OCCOC.COCCOc1cc2[nH]ccc(=O)c2cc1OCCOC.COCCOc1cc2nccc(Oc3ccc(N)cc3F)c2cc1OCCOC.COCCOc1cc2nccc(Oc3ccc(NC4CCCO4)cc3F)c2cc1OCCOC.COCCOc1cc2nccc(Oc3ccc([N+](=O)[O-])cc3F)c2cc1OCCOC.COCCOc1ccc(C(C)=O)cc1OCCOC.O=[N+]([O-])c1ccc(F)c(F)c1
InChIInChI=1S/C25H29FN2O6.C21H21FN2O7.C21H23FN2O5.C15H19NO5.C14H19NO7.C14H21NO5.C14H20O5.C8H19N.C8H8O3.C6H3F2NO2.C5H7ClN2O2.C3H7BrO/c1-29-10-12-31-23-15-18-20(16-24(23)32-13-11-30-2)27-8-7-21(18)34-22-6-5-17(14-19(22)26)28-25-4-3-9-33-25;1-27-7-9-29-20-12-15-17(13-21(20)30-10-8-28-2)23-6-5-18(15)31-19-4-3-14(24(25)26)11-16(19)22;1-25-7-9-27-20-12-15-17(13-21(20)28-10-8-26-2)24-6-5-18(15)29-19-4-3-14(23)11-16(19)22;1-18-5-7-20-14-9-11-12(16-4-3-13(11)17)10-15(14)21-8-6-19-2;1-10(16)11-8-13(21-6-4-19-2)14(22-7-5-20-3)9-12(11)15(17)18;1-10(16)11-8-13(19-6-4-17-2)14(9-12(11)15)20-7-5-18-3;1-11(15)12-4-5-13(18-8-6-16-2)14(10-12)19-9-7-17-3;1-6-9(7(2)3)8(4)5;1-5(9)6-2-3-7(10)8(11)4-6;7-5-2-1-4(9(10)11)3-6(5)8;1-7-2-3-8(4(6)9)5(7)10;1-5-3-2-4/h5-8,14-16,25,28H,3-4,9-13H2,1-2H3;3-6,11-13H,7-10H2,1-2H3;3-6,11-13H,7-10,23H2,1-2H3;3-4,9-10H,5-8H2,1-2H3,(H,16,17);8-9H,4-7H2,1-3H3;8-9H,4-7,15H2,1-3H3;4-5,10H,6-9H2,1-3H3;7-8H,6H2,1-5H3;2-4,10-11H,1H3;1-3H;2-3H2,1H3;2-3H2,1H3
InChIKeyVDEMGMXMNIAUNS-UHFFFAOYSA-N
XLogP26.62
TPSA722.21 Ų
H-Bond Donors6
H-Bond Acceptors55
Rotatable Bonds76
Heavy Atoms222
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003207.65
LogP ≤ 526.62
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1055

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-[2-amino-4,5-bis(2-methoxyethoxy)phenyl]ethanone;1-[4,5-bis(2-methoxyethoxy)-2-nitrophenyl]ethanone;1-[3,4-bis(2-methoxyethoxy)phenyl]ethanone;6,7-bis(2-methoxyethoxy)-1H-quinolin-4-one;4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluoroaniline;N-[4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluorophenyl]oxolan-2-amine;1-bromo-2-methoxyethane;1,2-difluoro-4-nitrobenzene;1-(3,4-dihydroxyphenyl)ethanone;N-ethyl-N-propan-2-ylpropan-2-amine;4-(2-fluoro-4-nitrophenoxy)-6,7-bis(2-methoxyethoxy)quinoline;3-methyl-2-oxoimidazolidine-1-carbonyl chloride with MolForge

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Related Compounds

cyclopentyl 5-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;cyclopentyl 5-[4-[2-fluoro-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-6-methoxyquinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;1,2-difluoro-4-nitrobenzene;1-[3-fluoro-4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyaniline;1-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-phenylmethoxyquinoline;1-isocyanato-4-methylbenzene;6-methoxy-7-phenylmethoxy-1H-quinolin-4-one
CID 159361962
N-[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 56644082
7-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-ylmethoxy)-4-(2-fluoro-4-nitrophenoxy)-6-methoxyquinoline;7-(1,2,3,3a,4,5,6,6a-octahydropentalen-2-ylmethoxy)-4-(2-fluoro-4-nitrophenoxy)-6-methoxyquinoline
CID 91061832
1-(4-chlorophenyl)-N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 155679203
[4-(4-amino-2-fluorophenoxy)-7-(3-morpholin-4-ylpropoxy)quinolin-6-yl]methanol;N-[3-fluoro-4-[6-(hydroxymethyl)-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-[2-(4-fluorophenyl)acetyl]cyclopropane-1-carboxamide;[4-(2-fluoro-4-nitrophenoxy)-7-(3-morpholin-4-ylpropoxy)quinolin-6-yl]methanol;1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carbonyl chloride
CID 159498804
N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 155679200
N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-methylpyrazole-3-carboxamide
CID 56846737
4-bromo-N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-methylpyrazole-3-carboxamide
CID 56846738
1-(3-chloro-4-fluorophenyl)-N-[3-fluoro-4-[6-methoxy-7-[3-(4-methylpiperidin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 155679248
4-(4-aminophenoxy)-7-(2-methoxyethoxy)quinoline-6-carbonitrile;7-(2-methoxyethoxy)-4-(4-nitrophenoxy)quinoline-6-carbonitrile
CID 160747273
N-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
CID 24967008
1-(4-chlorophenyl)-N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-2-oxopyrrolidine-3-carboxamide
CID 24864513

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4,5-bis(2-methoxyethoxy)phenyl]ethanone;1-[4,5-bis(2-methoxyethoxy)-2-nitrophenyl]ethanone;1-[3,4-bis(2-methoxyethoxy)phenyl]ethanone;6,7-bis(2-methoxyethoxy)-1H-quinolin-4-one;4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluoroaniline;N-[4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluorophenyl]oxolan-2-amine;1-bromo-2-methoxyethane;1,2-difluoro-4-nitrobenzene;1-(3,4-dihydroxyphenyl)ethanone;N-ethyl-N-propan-2-ylpropan-2-amine;4-(2-fluoro-4-nitrophenoxy)-6,7-bis(2-methoxyethoxy)quinoline;3-methyl-2-oxoimidazolidine-1-carbonyl chloride?
The IUPAC name of 1-[2-amino-4,5-bis(2-methoxyethoxy)phenyl]ethanone;1-[4,5-bis(2-methoxyethoxy)-2-nitrophenyl]ethanone;1-[3,4-bis(2-methoxyethoxy)phenyl]ethanone;6,7-bis(2-methoxyethoxy)-1H-quinolin-4-one;4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluoroaniline;N-[4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluorophenyl]oxolan-2-amine;1-bromo-2-methoxyethane;1,2-difluoro-4-nitrobenzene;1-(3,4-dihydroxyphenyl)ethanone;N-ethyl-N-propan-2-ylpropan-2-amine;4-(2-fluoro-4-nitrophenoxy)-6,7-bis(2-methoxyethoxy)quinoline;3-methyl-2-oxoimidazolidine-1-carbonyl chloride (CID 161265934) is 1-[2-amino-4,5-bis(2-methoxyethoxy)phenyl]ethanone;1-[4,5-bis(2-methoxyethoxy)-2-nitrophenyl]ethanone;1-[3,4-bis(2-methoxyethoxy)phenyl]ethanone;6,7-bis(2-methoxyethoxy)-1H-quinolin-4-one;4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluoroaniline;N-[4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluorophenyl]oxolan-2-amine;1-bromo-2-methoxyethane;1,2-difluoro-4-nitrobenzene;1-(3,4-dihydroxyphenyl)ethanone;N-ethyl-N-propan-2-ylpropan-2-amine;4-(2-fluoro-4-nitrophenoxy)-6,7-bis(2-methoxyethoxy)quinoline;3-methyl-2-oxoimidazolidine-1-carbonyl chloride.
What is the SMILES notation for 1-[2-amino-4,5-bis(2-methoxyethoxy)phenyl]ethanone;1-[4,5-bis(2-methoxyethoxy)-2-nitrophenyl]ethanone;1-[3,4-bis(2-methoxyethoxy)phenyl]ethanone;6,7-bis(2-methoxyethoxy)-1H-quinolin-4-one;4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluoroaniline;N-[4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluorophenyl]oxolan-2-amine;1-bromo-2-methoxyethane;1,2-difluoro-4-nitrobenzene;1-(3,4-dihydroxyphenyl)ethanone;N-ethyl-N-propan-2-ylpropan-2-amine;4-(2-fluoro-4-nitrophenoxy)-6,7-bis(2-methoxyethoxy)quinoline;3-methyl-2-oxoimidazolidine-1-carbonyl chloride?
The canonical SMILES for 1-[2-amino-4,5-bis(2-methoxyethoxy)phenyl]ethanone;1-[4,5-bis(2-methoxyethoxy)-2-nitrophenyl]ethanone;1-[3,4-bis(2-methoxyethoxy)phenyl]ethanone;6,7-bis(2-methoxyethoxy)-1H-quinolin-4-one;4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluoroaniline;N-[4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluorophenyl]oxolan-2-amine;1-bromo-2-methoxyethane;1,2-difluoro-4-nitrobenzene;1-(3,4-dihydroxyphenyl)ethanone;N-ethyl-N-propan-2-ylpropan-2-amine;4-(2-fluoro-4-nitrophenoxy)-6,7-bis(2-methoxyethoxy)quinoline;3-methyl-2-oxoimidazolidine-1-carbonyl chloride is CC(=O)c1ccc(O)c(O)c1.CCN(C(C)C)C(C)C.CN1CCN(C(=O)Cl)C1=O.COCCBr.COCCOc1cc(C(C)=O)c([N+](=O)[O-])cc1OCCOC.COCCOc1cc(N)c(C(C)=O)cc1OCCOC.COCCOc1cc2[nH]ccc(=O)c2cc1OCCOC.COCCOc1cc2nccc(Oc3ccc(N)cc3F)c2cc1OCCOC.COCCOc1cc2nccc(Oc3ccc(NC4CCCO4)cc3F)c2cc1OCCOC.COCCOc1cc2nccc(Oc3ccc([N+](=O)[O-])cc3F)c2cc1OCCOC.COCCOc1ccc(C(C)=O)cc1OCCOC.O=[N+]([O-])c1ccc(F)c(F)c1.
What is the InChIKey of 1-[2-amino-4,5-bis(2-methoxyethoxy)phenyl]ethanone;1-[4,5-bis(2-methoxyethoxy)-2-nitrophenyl]ethanone;1-[3,4-bis(2-methoxyethoxy)phenyl]ethanone;6,7-bis(2-methoxyethoxy)-1H-quinolin-4-one;4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluoroaniline;N-[4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluorophenyl]oxolan-2-amine;1-bromo-2-methoxyethane;1,2-difluoro-4-nitrobenzene;1-(3,4-dihydroxyphenyl)ethanone;N-ethyl-N-propan-2-ylpropan-2-amine;4-(2-fluoro-4-nitrophenoxy)-6,7-bis(2-methoxyethoxy)quinoline;3-methyl-2-oxoimidazolidine-1-carbonyl chloride?
The InChIKey is VDEMGMXMNIAUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O6.C21H21FN2O7.C21H23FN2O5.C15H19NO5.C14H19NO7.C14H21NO5.C14H20O5.C8H19N.C8H8O3.C6H3F2NO2.C5H7ClN2O2.C3H7BrO/c1-29-10-12-31-23-15-18-20(16-24(23)32-13-11-30-2)27-8-7-21(18)34-22-6-5-17(14-19(22)26)28-25-4-3-9-33-25;1-27-7-9-29-20-12-15-17(13-21(20)30-10-8-28-2)23-6-5-18(15)31-19-4-3-14(24(25)26)11-16(19)22;1-25-7-9-27-20-12-15-17(13-21(20)28-10-8-26-2)24-6-5-18(15)29-19-4-3-14(23)11-16(19)22;1-18-5-7-20-14-9-11-12(16-4-3-13(11)17)10-15(14)21-8-6-19-2;1-10(16)11-8-13(21-6-4-19-2)14(22-7-5-20-3)9-12(11)15(17)18;1-10(16)11-8-13(19-6-4-17-2)14(9-12(11)15)20-7-5-18-3;1-11(15)12-4-5-13(18-8-6-16-2)14(10-12)19-9-7-17-3;1-6-9(7(2)3)8(4)5;1-5(9)6-2-3-7(10)8(11)4-6;7-5-2-1-4(9(10)11)3-6(5)8;1-7-2-3-8(4(6)9)5(7)10;1-5-3-2-4/h5-8,14-16,25,28H,3-4,9-13H2,1-2H3;3-6,11-13H,7-10H2,1-2H3;3-6,11-13H,7-10,23H2,1-2H3;3-4,9-10H,5-8H2,1-2H3,(H,16,17);8-9H,4-7H2,1-3H3;8-9H,4-7,15H2,1-3H3;4-5,10H,6-9H2,1-3H3;7-8H,6H2,1-5H3;2-4,10-11H,1H3;1-3H;2-3H2,1H3;2-3H2,1H3.
What are the key properties of 1-[2-amino-4,5-bis(2-methoxyethoxy)phenyl]ethanone;1-[4,5-bis(2-methoxyethoxy)-2-nitrophenyl]ethanone;1-[3,4-bis(2-methoxyethoxy)phenyl]ethanone;6,7-bis(2-methoxyethoxy)-1H-quinolin-4-one;4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluoroaniline;N-[4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluorophenyl]oxolan-2-amine;1-bromo-2-methoxyethane;1,2-difluoro-4-nitrobenzene;1-(3,4-dihydroxyphenyl)ethanone;N-ethyl-N-propan-2-ylpropan-2-amine;4-(2-fluoro-4-nitrophenoxy)-6,7-bis(2-methoxyethoxy)quinoline;3-methyl-2-oxoimidazolidine-1-carbonyl chloride?
1-[2-amino-4,5-bis(2-methoxyethoxy)phenyl]ethanone;1-[4,5-bis(2-methoxyethoxy)-2-nitrophenyl]ethanone;1-[3,4-bis(2-methoxyethoxy)phenyl]ethanone;6,7-bis(2-methoxyethoxy)-1H-quinolin-4-one;4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluoroaniline;N-[4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluorophenyl]oxolan-2-amine;1-bromo-2-methoxyethane;1,2-difluoro-4-nitrobenzene;1-(3,4-dihydroxyphenyl)ethanone;N-ethyl-N-propan-2-ylpropan-2-amine;4-(2-fluoro-4-nitrophenoxy)-6,7-bis(2-methoxyethoxy)quinoline;3-methyl-2-oxoimidazolidine-1-carbonyl chloride has a molecular weight of 3207.65 g/mol, XLogP of 26.62, 76 rotatable bonds, 6 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4,5-bis(2-methoxyethoxy)phenyl]ethanone;1-[4,5-bis(2-methoxyethoxy)-2-nitrophenyl]ethanone;1-[3,4-bis(2-methoxyethoxy)phenyl]ethanone;6,7-bis(2-methoxyethoxy)-1H-quinolin-4-one;4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluoroaniline;N-[4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluorophenyl]oxolan-2-amine;1-bromo-2-methoxyethane;1,2-difluoro-4-nitrobenzene;1-(3,4-dihydroxyphenyl)ethanone;N-ethyl-N-propan-2-ylpropan-2-amine;4-(2-fluoro-4-nitrophenoxy)-6,7-bis(2-methoxyethoxy)quinoline;3-methyl-2-oxoimidazolidine-1-carbonyl chloride is sourced from PubChem (CID 161265934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).