2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-methoxyethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[6-cyclopropyl-7-[2-methoxyethyl(methyl)amino]quinolin-3-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[8-cyclopropyl-7-(2-phenylethyl)quinolin-3-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[6-cyclopropyl-7-[2-methoxyethyl(methyl)amino]quinolin-3-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[6-cyclopropyl-7-(3-methoxypropyl)quinolin-3-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone

C268H270N26O15S3 — CID 158024767

IUPAC2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-methoxyethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[6-cyclopropyl-7-[2-methoxyethyl(methyl)amino]quinolin-3-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[8-cyclopropyl-7-(2-phenylethyl)quinolin-3-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[6-cyclopropyl-7-[2-methoxyethyl(methyl)amino]quinolin-3-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[6-cyclopropyl-7-(3-methoxypropyl)quinolin-3-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone
SMILESCOCCCc1cc2ncc(C(=O)Cc3cc(-c4cccs4)ccc3N)cc2cc1C1CC1.COCCN(C)c1cc2ncc(C(=O)Cc3cc(-c4ccccc4)ccc3N)cc2cc1C1CC1.COCCN(C)c1cc2ncc(C(=O)Cc3cc(-c4cccs4)ccc3N)cc2cc1C1CC1.COCCn1cc(C2CC2)c2cc(C(=O)Cc3cc(-c4ccccc4)ccc3N)ccc21.Nc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(c1)c(C1CC1)cn2CCN1CCOCC1.Nc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(c1)cc(C1CC1)n2CCN1CCOCC1.Nc1ccc(-c2ccccc2)cc1CC(=O)c1cnc2c(C3CC3)c(CCc3ccccc3)ccc2c1.Nc1ccc(-c2ccccc2)cc1CC(=O)c1cnc2c(C3CC3)c(N3CCNCC3)ccc2c1.Nc1ccc(-c2cccs2)cc1CC(=O)c1cnc2c(C3CC3)c(N3CCNCC3)ccc2c1
InChIInChI=1S/C34H30N2O.2C31H33N3O2.C30H30N4O.C30H31N3O2.C28H28N4OS.C28H29N3O2S.C28H28N2O2S.C28H28N2O2/c35-31-18-17-27(24-9-5-2-6-10-24)19-29(31)21-32(37)30-20-28-16-15-25(12-11-23-7-3-1-4-8-23)33(26-13-14-26)34(28)36-22-30;32-28-10-8-24(22-4-2-1-3-5-22)18-26(28)21-31(35)25-9-11-29-27(19-25)20-30(23-6-7-23)34(29)13-12-33-14-16-36-17-15-33;32-29-10-8-24(22-4-2-1-3-5-22)18-26(29)20-31(35)25-9-11-30-27(19-25)28(23-6-7-23)21-34(30)13-12-33-14-16-36-17-15-33;31-26-10-8-22(20-4-2-1-3-5-20)16-24(26)18-28(35)25-17-23-9-11-27(34-14-12-32-13-15-34)29(21-6-7-21)30(23)33-19-25;1-33(12-13-35-2)29-18-28-24(16-26(29)21-8-9-21)15-25(19-32-28)30(34)17-23-14-22(10-11-27(23)31)20-6-4-3-5-7-20;29-23-7-5-19(26-2-1-13-34-26)14-21(23)16-25(33)22-15-20-6-8-24(32-11-9-30-10-12-32)27(18-3-4-18)28(20)31-17-22;1-31(9-10-33-2)26-16-25-21(14-23(26)18-5-6-18)13-22(17-30-25)27(32)15-20-12-19(7-8-24(20)29)28-4-3-11-34-28;1-32-10-2-4-19-15-26-22(14-24(19)18-6-7-18)13-23(17-30-26)27(31)16-21-12-20(8-9-25(21)29)28-5-3-11-33-28;1-32-14-13-30-18-25(20-7-8-20)24-16-22(10-12-27(24)30)28(31)17-23-15-21(9-11-26(23)29)19-5-3-2-4-6-19/h1-10,15-20,22,26H,11-14,21,35H2;1-5,8-11,18-20,23H,6-7,12-17,21,32H2;1-5,8-11,18-19,21,23H,6-7,12-17,20,32H2;1-5,8-11,16-17,19,21,32H,6-7,12-15,18,31H2;3-7,10-11,14-16,18-19,21H,8-9,12-13,17,31H2,1-2H3;1-2,5-8,13-15,17-18,30H,3-4,9-12,16,29H2;3-4,7-8,11-14,16-18H,5-6,9-10,15,29H2,1-2H3;3,5,8-9,11-15,17-18H,2,4,6-7,10,16,29H2,1H3;2-6,9-12,15-16,18,20H,7-8,13-14,17,29H2,1H3
InChIKeyFGLWVARMMZYPOO-UHFFFAOYSA-N
MW4191.48 g/mol
LogP53.14
Rot. Bonds71

About 2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-methoxyethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[6-cyclopropyl-7-[2-methoxyethyl(methyl)amino]quinolin-3-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[8-cyclopropyl-7-(2-phenylethyl)quinolin-3-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[6-cyclopropyl-7-[2-methoxyethyl(methyl)amino]quinolin-3-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[6-cyclopropyl-7-(3-methoxypropyl)quinolin-3-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone

2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-methoxyethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[6-cyclopropyl-7-[2-methoxyethyl(methyl)amino]quinolin-3-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[8-cyclopropyl-7-(2-phenylethyl)quinolin-3-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[6-cyclopropyl-7-[2-methoxyethyl(methyl)amino]quinolin-3-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[6-cyclopropyl-7-(3-methoxypropyl)quinolin-3-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone (PubChem CID 158024767) has the molecular formula C268H270N26O15S3 and a molecular weight of 4191.48 g/mol. Its IUPAC name is 2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-methoxyethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[6-cyclopropyl-7-[2-methoxyethyl(methyl)amino]quinolin-3-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[8-cyclopropyl-7-(2-phenylethyl)quinolin-3-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[6-cyclopropyl-7-[2-methoxyethyl(methyl)amino]quinolin-3-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[6-cyclopropyl-7-(3-methoxypropyl)quinolin-3-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-methoxyethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[6-cyclopropyl-7-[2-methoxyethyl(methyl)amino]quinolin-3-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[8-cyclopropyl-7-(2-phenylethyl)quinolin-3-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[6-cyclopropyl-7-[2-methoxyethyl(methyl)amino]quinolin-3-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[6-cyclopropyl-7-(3-methoxypropyl)quinolin-3-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone
PubChem CID158024767
Molecular FormulaC268H270N26O15S3
Molecular Weight4191.48 g/mol
Exact Mass4188.03
IUPAC Name2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-methoxyethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[6-cyclopropyl-7-[2-methoxyethyl(methyl)amino]quinolin-3-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[8-cyclopropyl-7-(2-phenylethyl)quinolin-3-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[6-cyclopropyl-7-[2-methoxyethyl(methyl)amino]quinolin-3-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[6-cyclopropyl-7-(3-methoxypropyl)quinolin-3-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone
SMILESCOCCCc1cc2ncc(C(=O)Cc3cc(-c4cccs4)ccc3N)cc2cc1C1CC1.COCCN(C)c1cc2ncc(C(=O)Cc3cc(-c4ccccc4)ccc3N)cc2cc1C1CC1.COCCN(C)c1cc2ncc(C(=O)Cc3cc(-c4cccs4)ccc3N)cc2cc1C1CC1.COCCn1cc(C2CC2)c2cc(C(=O)Cc3cc(-c4ccccc4)ccc3N)ccc21.Nc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(c1)c(C1CC1)cn2CCN1CCOCC1.Nc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(c1)cc(C1CC1)n2CCN1CCOCC1.Nc1ccc(-c2ccccc2)cc1CC(=O)c1cnc2c(C3CC3)c(CCc3ccccc3)ccc2c1.Nc1ccc(-c2ccccc2)cc1CC(=O)c1cnc2c(C3CC3)c(N3CCNCC3)ccc2c1.Nc1ccc(-c2cccs2)cc1CC(=O)c1cnc2c(C3CC3)c(N3CCNCC3)ccc2c1
InChIInChI=1S/C34H30N2O.2C31H33N3O2.C30H30N4O.C30H31N3O2.C28H28N4OS.C28H29N3O2S.C28H28N2O2S.C28H28N2O2/c35-31-18-17-27(24-9-5-2-6-10-24)19-29(31)21-32(37)30-20-28-16-15-25(12-11-23-7-3-1-4-8-23)33(26-13-14-26)34(28)36-22-30;32-28-10-8-24(22-4-2-1-3-5-22)18-26(28)21-31(35)25-9-11-29-27(19-25)20-30(23-6-7-23)34(29)13-12-33-14-16-36-17-15-33;32-29-10-8-24(22-4-2-1-3-5-22)18-26(29)20-31(35)25-9-11-30-27(19-25)28(23-6-7-23)21-34(30)13-12-33-14-16-36-17-15-33;31-26-10-8-22(20-4-2-1-3-5-20)16-24(26)18-28(35)25-17-23-9-11-27(34-14-12-32-13-15-34)29(21-6-7-21)30(23)33-19-25;1-33(12-13-35-2)29-18-28-24(16-26(29)21-8-9-21)15-25(19-32-28)30(34)17-23-14-22(10-11-27(23)31)20-6-4-3-5-7-20;29-23-7-5-19(26-2-1-13-34-26)14-21(23)16-25(33)22-15-20-6-8-24(32-11-9-30-10-12-32)27(18-3-4-18)28(20)31-17-22;1-31(9-10-33-2)26-16-25-21(14-23(26)18-5-6-18)13-22(17-30-25)27(32)15-20-12-19(7-8-24(20)29)28-4-3-11-34-28;1-32-10-2-4-19-15-26-22(14-24(19)18-6-7-18)13-23(17-30-26)27(31)16-21-12-20(8-9-25(21)29)28-5-3-11-33-28;1-32-14-13-30-18-25(20-7-8-20)24-16-22(10-12-27(24)30)28(31)17-23-15-21(9-11-26(23)29)19-5-3-2-4-6-19/h1-10,15-20,22,26H,11-14,21,35H2;1-5,8-11,18-20,23H,6-7,12-17,21,32H2;1-5,8-11,18-19,21,23H,6-7,12-17,20,32H2;1-5,8-11,16-17,19,21,32H,6-7,12-15,18,31H2;3-7,10-11,14-16,18-19,21H,8-9,12-13,17,31H2,1-2H3;1-2,5-8,13-15,17-18,30H,3-4,9-12,16,29H2;3-4,7-8,11-14,16-18H,5-6,9-10,15,29H2,1-2H3;3,5,8-9,11-15,17-18H,2,4,6-7,10,16,29H2,1H3;2-6,9-12,15-16,18,20H,7-8,13-14,17,29H2,1H3
InChIKeyFGLWVARMMZYPOO-UHFFFAOYSA-N
XLogP53.14
TPSA578.82 Ų
H-Bond Donors11
H-Bond Acceptors44
Rotatable Bonds71
Heavy Atoms312
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004191.48
LogP ≤ 553.14
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1044

Analyze 2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-methoxyethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[6-cyclopropyl-7-[2-methoxyethyl(methyl)amino]quinolin-3-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[8-cyclopropyl-7-(2-phenylethyl)quinolin-3-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[6-cyclopropyl-7-[2-methoxyethyl(methyl)amino]quinolin-3-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[6-cyclopropyl-7-(3-methoxypropyl)quinolin-3-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-methoxyethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[6-cyclopropyl-7-[2-methoxyethyl(methyl)amino]quinolin-3-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[8-cyclopropyl-7-(2-phenylethyl)quinolin-3-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[6-cyclopropyl-7-[2-methoxyethyl(methyl)amino]quinolin-3-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[6-cyclopropyl-7-(3-methoxypropyl)quinolin-3-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone?
The IUPAC name of 2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-methoxyethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[6-cyclopropyl-7-[2-methoxyethyl(methyl)amino]quinolin-3-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[8-cyclopropyl-7-(2-phenylethyl)quinolin-3-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[6-cyclopropyl-7-[2-methoxyethyl(methyl)amino]quinolin-3-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[6-cyclopropyl-7-(3-methoxypropyl)quinolin-3-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone (CID 158024767) is 2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-methoxyethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[6-cyclopropyl-7-[2-methoxyethyl(methyl)amino]quinolin-3-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[8-cyclopropyl-7-(2-phenylethyl)quinolin-3-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[6-cyclopropyl-7-[2-methoxyethyl(methyl)amino]quinolin-3-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[6-cyclopropyl-7-(3-methoxypropyl)quinolin-3-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone.
What is the SMILES notation for 2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-methoxyethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[6-cyclopropyl-7-[2-methoxyethyl(methyl)amino]quinolin-3-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[8-cyclopropyl-7-(2-phenylethyl)quinolin-3-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[6-cyclopropyl-7-[2-methoxyethyl(methyl)amino]quinolin-3-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[6-cyclopropyl-7-(3-methoxypropyl)quinolin-3-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone?
The canonical SMILES for 2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-methoxyethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[6-cyclopropyl-7-[2-methoxyethyl(methyl)amino]quinolin-3-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[8-cyclopropyl-7-(2-phenylethyl)quinolin-3-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[6-cyclopropyl-7-[2-methoxyethyl(methyl)amino]quinolin-3-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[6-cyclopropyl-7-(3-methoxypropyl)quinolin-3-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone is COCCCc1cc2ncc(C(=O)Cc3cc(-c4cccs4)ccc3N)cc2cc1C1CC1.COCCN(C)c1cc2ncc(C(=O)Cc3cc(-c4ccccc4)ccc3N)cc2cc1C1CC1.COCCN(C)c1cc2ncc(C(=O)Cc3cc(-c4cccs4)ccc3N)cc2cc1C1CC1.COCCn1cc(C2CC2)c2cc(C(=O)Cc3cc(-c4ccccc4)ccc3N)ccc21.Nc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(c1)c(C1CC1)cn2CCN1CCOCC1.Nc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(c1)cc(C1CC1)n2CCN1CCOCC1.Nc1ccc(-c2ccccc2)cc1CC(=O)c1cnc2c(C3CC3)c(CCc3ccccc3)ccc2c1.Nc1ccc(-c2ccccc2)cc1CC(=O)c1cnc2c(C3CC3)c(N3CCNCC3)ccc2c1.Nc1ccc(-c2cccs2)cc1CC(=O)c1cnc2c(C3CC3)c(N3CCNCC3)ccc2c1.
What is the InChIKey of 2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-methoxyethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[6-cyclopropyl-7-[2-methoxyethyl(methyl)amino]quinolin-3-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[8-cyclopropyl-7-(2-phenylethyl)quinolin-3-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[6-cyclopropyl-7-[2-methoxyethyl(methyl)amino]quinolin-3-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[6-cyclopropyl-7-(3-methoxypropyl)quinolin-3-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone?
The InChIKey is FGLWVARMMZYPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N2O.2C31H33N3O2.C30H30N4O.C30H31N3O2.C28H28N4OS.C28H29N3O2S.C28H28N2O2S.C28H28N2O2/c35-31-18-17-27(24-9-5-2-6-10-24)19-29(31)21-32(37)30-20-28-16-15-25(12-11-23-7-3-1-4-8-23)33(26-13-14-26)34(28)36-22-30;32-28-10-8-24(22-4-2-1-3-5-22)18-26(28)21-31(35)25-9-11-29-27(19-25)20-30(23-6-7-23)34(29)13-12-33-14-16-36-17-15-33;32-29-10-8-24(22-4-2-1-3-5-22)18-26(29)20-31(35)25-9-11-30-27(19-25)28(23-6-7-23)21-34(30)13-12-33-14-16-36-17-15-33;31-26-10-8-22(20-4-2-1-3-5-20)16-24(26)18-28(35)25-17-23-9-11-27(34-14-12-32-13-15-34)29(21-6-7-21)30(23)33-19-25;1-33(12-13-35-2)29-18-28-24(16-26(29)21-8-9-21)15-25(19-32-28)30(34)17-23-14-22(10-11-27(23)31)20-6-4-3-5-7-20;29-23-7-5-19(26-2-1-13-34-26)14-21(23)16-25(33)22-15-20-6-8-24(32-11-9-30-10-12-32)27(18-3-4-18)28(20)31-17-22;1-31(9-10-33-2)26-16-25-21(14-23(26)18-5-6-18)13-22(17-30-25)27(32)15-20-12-19(7-8-24(20)29)28-4-3-11-34-28;1-32-10-2-4-19-15-26-22(14-24(19)18-6-7-18)13-23(17-30-26)27(31)16-21-12-20(8-9-25(21)29)28-5-3-11-33-28;1-32-14-13-30-18-25(20-7-8-20)24-16-22(10-12-27(24)30)28(31)17-23-15-21(9-11-26(23)29)19-5-3-2-4-6-19/h1-10,15-20,22,26H,11-14,21,35H2;1-5,8-11,18-20,23H,6-7,12-17,21,32H2;1-5,8-11,18-19,21,23H,6-7,12-17,20,32H2;1-5,8-11,16-17,19,21,32H,6-7,12-15,18,31H2;3-7,10-11,14-16,18-19,21H,8-9,12-13,17,31H2,1-2H3;1-2,5-8,13-15,17-18,30H,3-4,9-12,16,29H2;3-4,7-8,11-14,16-18H,5-6,9-10,15,29H2,1-2H3;3,5,8-9,11-15,17-18H,2,4,6-7,10,16,29H2,1H3;2-6,9-12,15-16,18,20H,7-8,13-14,17,29H2,1H3.
What are the key properties of 2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-methoxyethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[6-cyclopropyl-7-[2-methoxyethyl(methyl)amino]quinolin-3-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[8-cyclopropyl-7-(2-phenylethyl)quinolin-3-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[6-cyclopropyl-7-[2-methoxyethyl(methyl)amino]quinolin-3-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[6-cyclopropyl-7-(3-methoxypropyl)quinolin-3-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone?
2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-methoxyethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[6-cyclopropyl-7-[2-methoxyethyl(methyl)amino]quinolin-3-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[8-cyclopropyl-7-(2-phenylethyl)quinolin-3-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[6-cyclopropyl-7-[2-methoxyethyl(methyl)amino]quinolin-3-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[6-cyclopropyl-7-(3-methoxypropyl)quinolin-3-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone has a molecular weight of 4191.48 g/mol, XLogP of 53.14, 71 rotatable bonds, 11 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-methoxyethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[6-cyclopropyl-7-[2-methoxyethyl(methyl)amino]quinolin-3-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[8-cyclopropyl-7-(2-phenylethyl)quinolin-3-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[6-cyclopropyl-7-[2-methoxyethyl(methyl)amino]quinolin-3-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[6-cyclopropyl-7-(3-methoxypropyl)quinolin-3-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone is sourced from PubChem (CID 158024767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).