2-(2-amino-5-phenylphenyl)-1-[6-cyclopropyl-7-[2-methoxyethyl(methyl)amino]quinolin-3-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-(3-methoxypropyl)quinolin-3-yl]ethanone

C122H119N11O6S — CID 161381166

IUPAC2-(2-amino-5-phenylphenyl)-1-[6-cyclopropyl-7-[2-methoxyethyl(methyl)amino]quinolin-3-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-(3-methoxypropyl)quinolin-3-yl]ethanone
SMILESCOCCCc1cc2ncc(C(=O)Cc3cc(-c4cccs4)ccc3N)cc2cc1C1CC1.COCCN(C)c1cc2ncc(C(=O)Cc3cc(-c4ccccc4)ccc3N)cc2cc1C1CC1.Nc1ccc(-c2ccccc2)cc1CC(=O)c1cnc2c(C3CC3)c(CCc3ccccc3)ccc2c1.Nc1ccc(-c2ccccc2)cc1CC(=O)c1cnc2c(C3CC3)c(N3CCNCC3)ccc2c1
InChIInChI=1S/C34H30N2O.C30H30N4O.C30H31N3O2.C28H28N2O2S/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;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;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/h1-10,15-20,22,26H,11-14,21,35H2;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;3,5,8-9,11-15,17-18H,2,4,6-7,10,16,29H2,1H3
InChIKeyVRSYLNWLEHKBIT-UHFFFAOYSA-N
MW1867.43 g/mol
LogP25.07
Rot. Bonds32

About 2-(2-amino-5-phenylphenyl)-1-[6-cyclopropyl-7-[2-methoxyethyl(methyl)amino]quinolin-3-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-(3-methoxypropyl)quinolin-3-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-[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-(3-methoxypropyl)quinolin-3-yl]ethanone (PubChem CID 161381166) has the molecular formula C122H119N11O6S and a molecular weight of 1867.43 g/mol. Its IUPAC name is 2-(2-amino-5-phenylphenyl)-1-[6-cyclopropyl-7-[2-methoxyethyl(methyl)amino]quinolin-3-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-(3-methoxypropyl)quinolin-3-yl]ethanone.

Molecular Properties

Compound Name2-(2-amino-5-phenylphenyl)-1-[6-cyclopropyl-7-[2-methoxyethyl(methyl)amino]quinolin-3-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-(3-methoxypropyl)quinolin-3-yl]ethanone
PubChem CID161381166
Molecular FormulaC122H119N11O6S
Molecular Weight1867.43 g/mol
Exact Mass1865.91
IUPAC Name2-(2-amino-5-phenylphenyl)-1-[6-cyclopropyl-7-[2-methoxyethyl(methyl)amino]quinolin-3-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-(3-methoxypropyl)quinolin-3-yl]ethanone
SMILESCOCCCc1cc2ncc(C(=O)Cc3cc(-c4cccs4)ccc3N)cc2cc1C1CC1.COCCN(C)c1cc2ncc(C(=O)Cc3cc(-c4ccccc4)ccc3N)cc2cc1C1CC1.Nc1ccc(-c2ccccc2)cc1CC(=O)c1cnc2c(C3CC3)c(CCc3ccccc3)ccc2c1.Nc1ccc(-c2ccccc2)cc1CC(=O)c1cnc2c(C3CC3)c(N3CCNCC3)ccc2c1
InChIInChI=1S/C34H30N2O.C30H30N4O.C30H31N3O2.C28H28N2O2S/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;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;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/h1-10,15-20,22,26H,11-14,21,35H2;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;3,5,8-9,11-15,17-18H,2,4,6-7,10,16,29H2,1H3
InChIKeyVRSYLNWLEHKBIT-UHFFFAOYSA-N
XLogP25.07
TPSA260.89 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds32
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001867.43
LogP ≤ 525.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(2-amino-5-phenylphenyl)-1-[6-cyclopropyl-7-[2-methoxyethyl(methyl)amino]quinolin-3-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-(3-methoxypropyl)quinolin-3-yl]ethanone 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

N-(2-amino-5-thiophen-2-ylphenyl)-8-cyclopropyl-7-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
CID 90115885
2-(2-amino-5-thiophen-2-ylphenyl)-1-(8-cyclopropyl-2-piperazin-1-ylquinoxalin-6-yl)ethanone;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[2-(8-cyclopropyl-2-piperidin-1-ylquinoxalin-6-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;8-cyclopropyl-2-piperidin-1-ylquinoxaline-6-carboxylic acid;ethyl 8-cyclopropyl-2-piperidin-1-ylquinoxaline-6-carboxylate
CID 157237155
tert-butyl N-[2-[2-oxo-2-(7-piperazin-1-ylquinolin-3-yl)ethyl]-4-thiophen-2-ylphenyl]carbamate
CID 161218316
2-[2-amino-5-(furan-2-yl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(4-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-[2-amino-5-(furan-3-yl)phenyl]-1-(4-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone
CID 161473158
(E)-N-(2-amino-5-thiophen-2-ylphenyl)-3-(3-cyclopropyl-4-piperazin-1-ylphenyl)prop-2-enamide
CID 121341035
2-(2-amino-5-phenylphenyl)-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone
CID 158909763
2-(2-amino-5-thiophen-2-ylphenyl)-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;5-bromo-1,3-thiazole-2-carboxylic acid;tert-butyl 4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]acetyl]-1,3-thiazol-5-yl]piperazine-1-carboxylate;methyl 5-bromo-1,3-thiazole-2-carboxylate;methyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazole-2-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazole-2-carboxylic acid
CID 158213576
N-(2-amino-5-thiophen-2-ylphenyl)-6-piperazin-1-ylpyridine-3-carboxamide
CID 134535362
7-[[5-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]-2-pyridinyl]methyl]-2-methyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one
CID 158347719
2-(2-amino-5-thiophen-2-ylphenyl)-1-(3-methylbenzimidazol-5-yl)ethanone;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[2-(3-methylbenzimidazol-5-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;3-methylbenzimidazole-5-carboxylic acid
CID 163594465
3-(3-methoxypropoxy)-4-(2-phenylethyl)-N-[(3R)-piperidin-3-yl]benzamide
CID 70954342
5-[2-(2-amino-5-phenylphenyl)acetyl]-7-cyclopropyl-1-(2-morpholin-4-ylethyl)-3H-indol-2-one
CID 153183619

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-phenylphenyl)-1-[6-cyclopropyl-7-[2-methoxyethyl(methyl)amino]quinolin-3-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-(3-methoxypropyl)quinolin-3-yl]ethanone?
The IUPAC name of 2-(2-amino-5-phenylphenyl)-1-[6-cyclopropyl-7-[2-methoxyethyl(methyl)amino]quinolin-3-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-(3-methoxypropyl)quinolin-3-yl]ethanone (CID 161381166) is 2-(2-amino-5-phenylphenyl)-1-[6-cyclopropyl-7-[2-methoxyethyl(methyl)amino]quinolin-3-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-(3-methoxypropyl)quinolin-3-yl]ethanone.
What is the SMILES notation for 2-(2-amino-5-phenylphenyl)-1-[6-cyclopropyl-7-[2-methoxyethyl(methyl)amino]quinolin-3-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-(3-methoxypropyl)quinolin-3-yl]ethanone?
The canonical SMILES for 2-(2-amino-5-phenylphenyl)-1-[6-cyclopropyl-7-[2-methoxyethyl(methyl)amino]quinolin-3-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-(3-methoxypropyl)quinolin-3-yl]ethanone is COCCCc1cc2ncc(C(=O)Cc3cc(-c4cccs4)ccc3N)cc2cc1C1CC1.COCCN(C)c1cc2ncc(C(=O)Cc3cc(-c4ccccc4)ccc3N)cc2cc1C1CC1.Nc1ccc(-c2ccccc2)cc1CC(=O)c1cnc2c(C3CC3)c(CCc3ccccc3)ccc2c1.Nc1ccc(-c2ccccc2)cc1CC(=O)c1cnc2c(C3CC3)c(N3CCNCC3)ccc2c1.
What is the InChIKey of 2-(2-amino-5-phenylphenyl)-1-[6-cyclopropyl-7-[2-methoxyethyl(methyl)amino]quinolin-3-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-(3-methoxypropyl)quinolin-3-yl]ethanone?
The InChIKey is VRSYLNWLEHKBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N2O.C30H30N4O.C30H31N3O2.C28H28N2O2S/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;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;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/h1-10,15-20,22,26H,11-14,21,35H2;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;3,5,8-9,11-15,17-18H,2,4,6-7,10,16,29H2,1H3.
What are the key properties of 2-(2-amino-5-phenylphenyl)-1-[6-cyclopropyl-7-[2-methoxyethyl(methyl)amino]quinolin-3-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-(3-methoxypropyl)quinolin-3-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-[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-(3-methoxypropyl)quinolin-3-yl]ethanone has a molecular weight of 1867.43 g/mol, XLogP of 25.07, 32 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-phenylphenyl)-1-[6-cyclopropyl-7-[2-methoxyethyl(methyl)amino]quinolin-3-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-(3-methoxypropyl)quinolin-3-yl]ethanone is sourced from PubChem (CID 161381166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).