tert-butyl N-(2-amino-4-phenylphenyl)carbamate;tert-butyl 4-[8-cyclopropyl-3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl]acetyl]quinolin-7-yl]piperazine-1-carboxylate;8-cyclopropyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid;1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)-2-(3-phenylphenyl)ethanone

C109H122N12O12 — CID 159012838

IUPACtert-butyl N-(2-amino-4-phenylphenyl)carbamate;tert-butyl 4-[8-cyclopropyl-3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl]acetyl]quinolin-7-yl]piperazine-1-carboxylate;8-cyclopropyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid;1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)-2-(3-phenylphenyl)ethanone
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc3cc(C(=O)O)cnc3c2C2CC2)CC1.CC(C)(C)OC(=O)Nc1ccc(-c2ccccc2)cc1CC(=O)c1cnc2c(C3CC3)c(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2c1.CC(C)(C)OC(=O)Nc1ccc(-c2ccccc2)cc1N.O=C(Cc1cccc(-c2ccccc2)c1)c1cnc2c(C3CC3)c(N3CCNCC3)ccc2c1
InChIInChI=1S/C40H46N4O5.C30H29N3O.C22H27N3O4.C17H20N2O2/c1-39(2,3)48-37(46)42-32-16-14-28(26-10-8-7-9-11-26)22-30(32)24-34(45)31-23-29-15-17-33(35(27-12-13-27)36(29)41-25-31)43-18-20-44(21-19-43)38(47)49-40(4,5)6;34-28(18-21-5-4-8-24(17-21)22-6-2-1-3-7-22)26-19-25-11-12-27(33-15-13-31-14-16-33)29(23-9-10-23)30(25)32-20-26;1-22(2,3)29-21(28)25-10-8-24(9-11-25)17-7-6-15-12-16(20(26)27)13-23-19(15)18(17)14-4-5-14;1-17(2,3)21-16(20)19-15-10-9-13(11-14(15)18)12-7-5-4-6-8-12/h7-11,14-17,22-23,25,27H,12-13,18-21,24H2,1-6H3,(H,42,46);1-8,11-12,17,19-20,23,31H,9-10,13-16,18H2;6-7,12-14H,4-5,8-11H2,1-3H3,(H,26,27);4-11H,18H2,1-3H3,(H,19,20)
InChIKeyJSSDDBSVFWBIFW-UHFFFAOYSA-N
MW1792.25 g/mol
LogP22.37
Rot. Bonds18

About tert-butyl N-(2-amino-4-phenylphenyl)carbamate;tert-butyl 4-[8-cyclopropyl-3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl]acetyl]quinolin-7-yl]piperazine-1-carboxylate;8-cyclopropyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid;1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)-2-(3-phenylphenyl)ethanone

tert-butyl N-(2-amino-4-phenylphenyl)carbamate;tert-butyl 4-[8-cyclopropyl-3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl]acetyl]quinolin-7-yl]piperazine-1-carboxylate;8-cyclopropyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid;1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)-2-(3-phenylphenyl)ethanone (PubChem CID 159012838) has the molecular formula C109H122N12O12 and a molecular weight of 1792.25 g/mol. Its IUPAC name is tert-butyl N-(2-amino-4-phenylphenyl)carbamate;tert-butyl 4-[8-cyclopropyl-3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl]acetyl]quinolin-7-yl]piperazine-1-carboxylate;8-cyclopropyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid;1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)-2-(3-phenylphenyl)ethanone.

Molecular Properties

Compound Nametert-butyl N-(2-amino-4-phenylphenyl)carbamate;tert-butyl 4-[8-cyclopropyl-3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl]acetyl]quinolin-7-yl]piperazine-1-carboxylate;8-cyclopropyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid;1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)-2-(3-phenylphenyl)ethanone
PubChem CID159012838
Molecular FormulaC109H122N12O12
Molecular Weight1792.25 g/mol
Exact Mass1790.93
IUPAC Nametert-butyl N-(2-amino-4-phenylphenyl)carbamate;tert-butyl 4-[8-cyclopropyl-3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl]acetyl]quinolin-7-yl]piperazine-1-carboxylate;8-cyclopropyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid;1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)-2-(3-phenylphenyl)ethanone
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc3cc(C(=O)O)cnc3c2C2CC2)CC1.CC(C)(C)OC(=O)Nc1ccc(-c2ccccc2)cc1CC(=O)c1cnc2c(C3CC3)c(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2c1.CC(C)(C)OC(=O)Nc1ccc(-c2ccccc2)cc1N.O=C(Cc1cccc(-c2ccccc2)c1)c1cnc2c(C3CC3)c(N3CCNCC3)ccc2c1
InChIInChI=1S/C40H46N4O5.C30H29N3O.C22H27N3O4.C17H20N2O2/c1-39(2,3)48-37(46)42-32-16-14-28(26-10-8-7-9-11-26)22-30(32)24-34(45)31-23-29-15-17-33(35(27-12-13-27)36(29)41-25-31)43-18-20-44(21-19-43)38(47)49-40(4,5)6;34-28(18-21-5-4-8-24(17-21)22-6-2-1-3-7-22)26-19-25-11-12-27(33-15-13-31-14-16-33)29(23-9-10-23)30(25)32-20-26;1-22(2,3)29-21(28)25-10-8-24(9-11-25)17-7-6-15-12-16(20(26)27)13-23-19(15)18(17)14-4-5-14;1-17(2,3)21-16(20)19-15-10-9-13(11-14(15)18)12-7-5-4-6-8-12/h7-11,14-17,22-23,25,27H,12-13,18-21,24H2,1-6H3,(H,42,46);1-8,11-12,17,19-20,23,31H,9-10,13-16,18H2;6-7,12-14H,4-5,8-11H2,1-3H3,(H,26,27);4-11H,18H2,1-3H3,(H,19,20)
InChIKeyJSSDDBSVFWBIFW-UHFFFAOYSA-N
XLogP22.37
TPSA293.62 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds18
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001792.25
LogP ≤ 522.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze tert-butyl N-(2-amino-4-phenylphenyl)carbamate;tert-butyl 4-[8-cyclopropyl-3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl]acetyl]quinolin-7-yl]piperazine-1-carboxylate;8-cyclopropyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid;1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)-2-(3-phenylphenyl)ethanone with MolForge

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Related Compounds

Ethyl 4-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)anilino]-6-quinolin-3-ylquinoline-3-carboxylate;4-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)anilino]-6-quinolin-3-ylquinoline-3-carboxylic acid;1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-yl-[1,3]oxazino[5,4-c]quinoline-2,4-dione
CID 159770956
sodium;2-(2-amino-5-fluorophenyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone;tert-butyl N-(2-amino-4-fluorophenyl)carbamate;tert-butyl 4-[3-[2-[5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]quinolin-7-yl]piperazine-1-carboxylate;ethyl 7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylate;7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid;hydroxide
CID 157146666
5-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;5-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;1-[3-[(6-fluoroquinolin-4-yl)amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;5-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylic acid
CID 157295081
4-anilino-6-N-[2-[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoyl]piperazin-1-yl]-2-oxoethyl]-3-N-methylquinoline-3,6-dicarboxamide;4-anilino-3-(methylcarbamoyl)quinoline-6-carboxylic acid;tert-butyl 2-aminoacetate;tert-butyl 2-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]acetate;tert-butyl 4-[2-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]acetyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;methane
CID 157342860
lithium;4-anilino-6-N-[3-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]piperazin-1-yl]-3-oxopropyl]-3-N-methylquinoline-3,6-dicarboxamide;3-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]propanoic acid;4-anilino-3-(methylcarbamoyl)quinoline-6-carboxylic acid;tert-butyl 4-[3-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]propanoyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;methane;methyl 3-aminopropanoate;methyl 3-[[4-anilino-3-(methylcarbamoyl)quinoline-6-carbonyl]amino]propanoate;hydroxide
CID 157459012
4-anilino-6-[4-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]butylcarbamoyl]phenyl]-N-methylquinoline-3-carboxamide;4-[4-anilino-3-(methylcarbamoyl)quinolin-6-yl]benzoic acid;tert-butyl N-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]butyl]carbamate
CID 157465508
Tert-butyl 4-(6-carbamoylquinolin-4-yl)piperidine-1-carboxylate;4-cyclohexylquinoline-6-carboxamide;methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]quinoline-6-carboxylate;4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]quinoline-6-carboxylic acid;hydrochloride
CID 157525710
Benzyl 4-[3-(dimethylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;4-[3-(dimethylamino)propylamino]-6,8-dimethylquinoline-3-carboxylic acid;methyl 4-[3-(dimethylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate;propan-2-yl 4-[3-(dimethylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate
CID 157674870
2-(2-amino-5-phenylphenyl)-1-(8-cyclopropyl-7-morpholin-4-ylquinolin-3-yl)ethanone;tert-butyl N-[2-[2-(8-cyclopropyl-7-morpholin-4-ylquinolin-3-yl)-2-oxoethyl]-4-phenylphenyl]carbamate;cyclopropylboronic acid;8-cyclopropyl-7-morpholin-4-ylquinoline-3-carboxylic acid;ethyl 8-bromo-7-morpholin-4-ylquinoline-3-carboxylate;ethyl 8-cyclopropyl-7-morpholin-4-ylquinoline-3-carboxylate;ethyl 7-morpholin-4-ylquinoline-3-carboxylate
CID 157695518
Tert-butyl 2-[[(3-aminopyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate;tert-butyl 2-[[[3-[[4-(dimethylamino)naphthalene-1-carbonyl]amino]pyridine-2-carbonyl]amino]methyl]piperidine-1-carboxylate;4-(dimethylamino)naphthalene-1-carboxylic acid
CID 157980424
2-(2-Amino-5-pyridin-4-ylphenyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone;tert-butyl 4-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-4-ylphenyl]acetyl]quinolin-7-yl]piperazine-1-carboxylate;7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid
CID 158065962
4-[(6-acetylquinolin-4-yl)amino]-N-(4-benzylphenyl)benzamide;1-[3-[(6-acetylquinolin-4-yl)amino]phenyl]-2-(3-benzylphenyl)ethanone;4-[3-[2-(3-benzylphenyl)acetyl]anilino]quinoline-6-carboxylic acid;4-[4-[(4-benzylphenyl)carbamoyl]anilino]quinoline-6-carboxylic acid;methyl 4-[3-[2-(3-benzylphenyl)acetyl]anilino]quinoline-6-carboxylate;methyl 4-[4-[(4-benzylphenyl)carbamoyl]anilino]quinoline-6-carboxylate
CID 158161678

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-amino-4-phenylphenyl)carbamate;tert-butyl 4-[8-cyclopropyl-3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl]acetyl]quinolin-7-yl]piperazine-1-carboxylate;8-cyclopropyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid;1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)-2-(3-phenylphenyl)ethanone?
The IUPAC name of tert-butyl N-(2-amino-4-phenylphenyl)carbamate;tert-butyl 4-[8-cyclopropyl-3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl]acetyl]quinolin-7-yl]piperazine-1-carboxylate;8-cyclopropyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid;1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)-2-(3-phenylphenyl)ethanone (CID 159012838) is tert-butyl N-(2-amino-4-phenylphenyl)carbamate;tert-butyl 4-[8-cyclopropyl-3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl]acetyl]quinolin-7-yl]piperazine-1-carboxylate;8-cyclopropyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid;1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)-2-(3-phenylphenyl)ethanone.
What is the SMILES notation for tert-butyl N-(2-amino-4-phenylphenyl)carbamate;tert-butyl 4-[8-cyclopropyl-3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl]acetyl]quinolin-7-yl]piperazine-1-carboxylate;8-cyclopropyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid;1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)-2-(3-phenylphenyl)ethanone?
The canonical SMILES for tert-butyl N-(2-amino-4-phenylphenyl)carbamate;tert-butyl 4-[8-cyclopropyl-3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl]acetyl]quinolin-7-yl]piperazine-1-carboxylate;8-cyclopropyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid;1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)-2-(3-phenylphenyl)ethanone is CC(C)(C)OC(=O)N1CCN(c2ccc3cc(C(=O)O)cnc3c2C2CC2)CC1.CC(C)(C)OC(=O)Nc1ccc(-c2ccccc2)cc1CC(=O)c1cnc2c(C3CC3)c(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2c1.CC(C)(C)OC(=O)Nc1ccc(-c2ccccc2)cc1N.O=C(Cc1cccc(-c2ccccc2)c1)c1cnc2c(C3CC3)c(N3CCNCC3)ccc2c1.
What is the InChIKey of tert-butyl N-(2-amino-4-phenylphenyl)carbamate;tert-butyl 4-[8-cyclopropyl-3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl]acetyl]quinolin-7-yl]piperazine-1-carboxylate;8-cyclopropyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid;1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)-2-(3-phenylphenyl)ethanone?
The InChIKey is JSSDDBSVFWBIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H46N4O5.C30H29N3O.C22H27N3O4.C17H20N2O2/c1-39(2,3)48-37(46)42-32-16-14-28(26-10-8-7-9-11-26)22-30(32)24-34(45)31-23-29-15-17-33(35(27-12-13-27)36(29)41-25-31)43-18-20-44(21-19-43)38(47)49-40(4,5)6;34-28(18-21-5-4-8-24(17-21)22-6-2-1-3-7-22)26-19-25-11-12-27(33-15-13-31-14-16-33)29(23-9-10-23)30(25)32-20-26;1-22(2,3)29-21(28)25-10-8-24(9-11-25)17-7-6-15-12-16(20(26)27)13-23-19(15)18(17)14-4-5-14;1-17(2,3)21-16(20)19-15-10-9-13(11-14(15)18)12-7-5-4-6-8-12/h7-11,14-17,22-23,25,27H,12-13,18-21,24H2,1-6H3,(H,42,46);1-8,11-12,17,19-20,23,31H,9-10,13-16,18H2;6-7,12-14H,4-5,8-11H2,1-3H3,(H,26,27);4-11H,18H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-(2-amino-4-phenylphenyl)carbamate;tert-butyl 4-[8-cyclopropyl-3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl]acetyl]quinolin-7-yl]piperazine-1-carboxylate;8-cyclopropyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid;1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)-2-(3-phenylphenyl)ethanone?
tert-butyl N-(2-amino-4-phenylphenyl)carbamate;tert-butyl 4-[8-cyclopropyl-3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl]acetyl]quinolin-7-yl]piperazine-1-carboxylate;8-cyclopropyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid;1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)-2-(3-phenylphenyl)ethanone has a molecular weight of 1792.25 g/mol, XLogP of 22.37, 18 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-amino-4-phenylphenyl)carbamate;tert-butyl 4-[8-cyclopropyl-3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl]acetyl]quinolin-7-yl]piperazine-1-carboxylate;8-cyclopropyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid;1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)-2-(3-phenylphenyl)ethanone is sourced from PubChem (CID 159012838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).