2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinoline-6-carboxylic acid;2-[2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid;ethyl 3-amino-4-(cyclohexylamino)benzoate;ethyl 3-[[2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinoline-6-carbonyl]amino]-4-(cyclohexylamino)benzoate;methyl 2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinoline-6-carboxylate

C152H142Cl4N14O15 — CID 158597589

IUPAC2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinoline-6-carboxylic acid;2-[2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid;ethyl 3-amino-4-(cyclohexylamino)benzoate;ethyl 3-[[2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinoline-6-carbonyl]amino]-4-(cyclohexylamino)benzoate;methyl 2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinoline-6-carboxylate
SMILESCCOC(=O)c1ccc(NC2CCCCC2)c(N)c1.CCOC(=O)c1ccc(NC2CCCCC2)c(NC(=O)c2ccc3nc(-c4cc(C(=O)N5CCCC5)ccc4-c4ccc(Cl)cc4)ccc3c2)c1.COC(=O)c1ccc2nc(-c3cc(C(=O)N4CCCC4)ccc3-c3ccc(Cl)cc3)ccc2c1.O=C(O)c1ccc2c(c1)nc(-c1ccc3nc(-c4cc(C(=O)N5CCCC5)ccc4-c4ccc(Cl)cc4)ccc3c1)n2C1CCCCC1.O=C(O)c1ccc2nc(-c3cc(C(=O)N4CCCC4)ccc3-c3ccc(Cl)cc3)ccc2c1
InChIInChI=1S/C42H41ClN4O4.C40H35ClN4O3.C28H23ClN2O3.C27H21ClN2O3.C15H22N2O2/c1-2-51-42(50)31-15-21-38(44-33-8-4-3-5-9-33)39(26-31)46-40(48)29-14-19-36-28(24-29)13-20-37(45-36)35-25-30(41(49)47-22-6-7-23-47)12-18-34(35)27-10-16-32(43)17-11-27;41-30-14-8-25(9-15-30)32-16-10-28(39(46)44-20-4-5-21-44)23-33(32)35-18-11-26-22-27(12-17-34(26)42-35)38-43-36-24-29(40(47)48)13-19-37(36)45(38)31-6-2-1-3-7-31;1-34-28(33)21-8-12-25-19(16-21)7-13-26(30-25)24-17-20(27(32)31-14-2-3-15-31)6-11-23(24)18-4-9-22(29)10-5-18;28-21-8-3-17(4-9-21)22-10-5-19(26(31)30-13-1-2-14-30)16-23(22)25-12-6-18-15-20(27(32)33)7-11-24(18)29-25;1-2-19-15(18)11-8-9-14(13(16)10-11)17-12-6-4-3-5-7-12/h10-21,24-26,33,44H,2-9,22-23H2,1H3,(H,46,48);8-19,22-24,31H,1-7,20-21H2,(H,47,48);4-13,16-17H,2-3,14-15H2,1H3;3-12,15-16H,1-2,13-14H2,(H,32,33);8-10,12,17H,2-7,16H2,1H3
InChIKeyHVFOXKKPUQFHJW-UHFFFAOYSA-N
MW2546.70 g/mol
LogP34.90
Rot. Bonds27

About 2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinoline-6-carboxylic acid;2-[2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid;ethyl 3-amino-4-(cyclohexylamino)benzoate;ethyl 3-[[2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinoline-6-carbonyl]amino]-4-(cyclohexylamino)benzoate;methyl 2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinoline-6-carboxylate

2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinoline-6-carboxylic acid;2-[2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid;ethyl 3-amino-4-(cyclohexylamino)benzoate;ethyl 3-[[2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinoline-6-carbonyl]amino]-4-(cyclohexylamino)benzoate;methyl 2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinoline-6-carboxylate (PubChem CID 158597589) has the molecular formula C152H142Cl4N14O15 and a molecular weight of 2546.70 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinoline-6-carboxylic acid;2-[2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid;ethyl 3-amino-4-(cyclohexylamino)benzoate;ethyl 3-[[2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinoline-6-carbonyl]amino]-4-(cyclohexylamino)benzoate;methyl 2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinoline-6-carboxylate.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinoline-6-carboxylic acid;2-[2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid;ethyl 3-amino-4-(cyclohexylamino)benzoate;ethyl 3-[[2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinoline-6-carbonyl]amino]-4-(cyclohexylamino)benzoate;methyl 2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinoline-6-carboxylate
PubChem CID158597589
Molecular FormulaC152H142Cl4N14O15
Molecular Weight2546.70 g/mol
Exact Mass2542.95
IUPAC Name2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinoline-6-carboxylic acid;2-[2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid;ethyl 3-amino-4-(cyclohexylamino)benzoate;ethyl 3-[[2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinoline-6-carbonyl]amino]-4-(cyclohexylamino)benzoate;methyl 2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinoline-6-carboxylate
SMILESCCOC(=O)c1ccc(NC2CCCCC2)c(N)c1.CCOC(=O)c1ccc(NC2CCCCC2)c(NC(=O)c2ccc3nc(-c4cc(C(=O)N5CCCC5)ccc4-c4ccc(Cl)cc4)ccc3c2)c1.COC(=O)c1ccc2nc(-c3cc(C(=O)N4CCCC4)ccc3-c3ccc(Cl)cc3)ccc2c1.O=C(O)c1ccc2c(c1)nc(-c1ccc3nc(-c4cc(C(=O)N5CCCC5)ccc4-c4ccc(Cl)cc4)ccc3c1)n2C1CCCCC1.O=C(O)c1ccc2nc(-c3cc(C(=O)N4CCCC4)ccc3-c3ccc(Cl)cc3)ccc2c1
InChIInChI=1S/C42H41ClN4O4.C40H35ClN4O3.C28H23ClN2O3.C27H21ClN2O3.C15H22N2O2/c1-2-51-42(50)31-15-21-38(44-33-8-4-3-5-9-33)39(26-31)46-40(48)29-14-19-36-28(24-29)13-20-37(45-36)35-25-30(41(49)47-22-6-7-23-47)12-18-34(35)27-10-16-32(43)17-11-27;41-30-14-8-25(9-15-30)32-16-10-28(39(46)44-20-4-5-21-44)23-33(32)35-18-11-26-22-27(12-17-34(26)42-35)38-43-36-24-29(40(47)48)13-19-37(36)45(38)31-6-2-1-3-7-31;1-34-28(33)21-8-12-25-19(16-21)7-13-26(30-25)24-17-20(27(32)31-14-2-3-15-31)6-11-23(24)18-4-9-22(29)10-5-18;28-21-8-3-17(4-9-21)22-10-5-19(26(31)30-13-1-2-14-30)16-23(22)25-12-6-18-15-20(27(32)33)7-11-24(18)29-25;1-2-19-15(18)11-8-9-14(13(16)10-11)17-12-6-4-3-5-7-12/h10-21,24-26,33,44H,2-9,22-23H2,1H3,(H,46,48);8-19,22-24,31H,1-7,20-21H2,(H,47,48);4-13,16-17H,2-3,14-15H2,1H3;3-12,15-16H,1-2,13-14H2,(H,32,33);8-10,12,17H,2-7,16H2,1H3
InChIKeyHVFOXKKPUQFHJW-UHFFFAOYSA-N
XLogP34.90
TPSA383.30 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds27
Heavy Atoms185
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002546.70
LogP ≤ 534.90
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinoline-6-carboxylic acid;2-[2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid;ethyl 3-amino-4-(cyclohexylamino)benzoate;ethyl 3-[[2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinoline-6-carbonyl]amino]-4-(cyclohexylamino)benzoate;methyl 2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinoline-6-carboxylate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinoline-6-carboxylic acid;2-[2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid;ethyl 3-amino-4-(cyclohexylamino)benzoate;ethyl 3-[[2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinoline-6-carbonyl]amino]-4-(cyclohexylamino)benzoate;methyl 2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinoline-6-carboxylate?
The IUPAC name of 2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinoline-6-carboxylic acid;2-[2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid;ethyl 3-amino-4-(cyclohexylamino)benzoate;ethyl 3-[[2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinoline-6-carbonyl]amino]-4-(cyclohexylamino)benzoate;methyl 2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinoline-6-carboxylate (CID 158597589) is 2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinoline-6-carboxylic acid;2-[2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid;ethyl 3-amino-4-(cyclohexylamino)benzoate;ethyl 3-[[2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinoline-6-carbonyl]amino]-4-(cyclohexylamino)benzoate;methyl 2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinoline-6-carboxylate.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinoline-6-carboxylic acid;2-[2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid;ethyl 3-amino-4-(cyclohexylamino)benzoate;ethyl 3-[[2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinoline-6-carbonyl]amino]-4-(cyclohexylamino)benzoate;methyl 2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinoline-6-carboxylate?
The canonical SMILES for 2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinoline-6-carboxylic acid;2-[2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid;ethyl 3-amino-4-(cyclohexylamino)benzoate;ethyl 3-[[2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinoline-6-carbonyl]amino]-4-(cyclohexylamino)benzoate;methyl 2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinoline-6-carboxylate is CCOC(=O)c1ccc(NC2CCCCC2)c(N)c1.CCOC(=O)c1ccc(NC2CCCCC2)c(NC(=O)c2ccc3nc(-c4cc(C(=O)N5CCCC5)ccc4-c4ccc(Cl)cc4)ccc3c2)c1.COC(=O)c1ccc2nc(-c3cc(C(=O)N4CCCC4)ccc3-c3ccc(Cl)cc3)ccc2c1.O=C(O)c1ccc2c(c1)nc(-c1ccc3nc(-c4cc(C(=O)N5CCCC5)ccc4-c4ccc(Cl)cc4)ccc3c1)n2C1CCCCC1.O=C(O)c1ccc2nc(-c3cc(C(=O)N4CCCC4)ccc3-c3ccc(Cl)cc3)ccc2c1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinoline-6-carboxylic acid;2-[2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid;ethyl 3-amino-4-(cyclohexylamino)benzoate;ethyl 3-[[2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinoline-6-carbonyl]amino]-4-(cyclohexylamino)benzoate;methyl 2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinoline-6-carboxylate?
The InChIKey is HVFOXKKPUQFHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H41ClN4O4.C40H35ClN4O3.C28H23ClN2O3.C27H21ClN2O3.C15H22N2O2/c1-2-51-42(50)31-15-21-38(44-33-8-4-3-5-9-33)39(26-31)46-40(48)29-14-19-36-28(24-29)13-20-37(45-36)35-25-30(41(49)47-22-6-7-23-47)12-18-34(35)27-10-16-32(43)17-11-27;41-30-14-8-25(9-15-30)32-16-10-28(39(46)44-20-4-5-21-44)23-33(32)35-18-11-26-22-27(12-17-34(26)42-35)38-43-36-24-29(40(47)48)13-19-37(36)45(38)31-6-2-1-3-7-31;1-34-28(33)21-8-12-25-19(16-21)7-13-26(30-25)24-17-20(27(32)31-14-2-3-15-31)6-11-23(24)18-4-9-22(29)10-5-18;28-21-8-3-17(4-9-21)22-10-5-19(26(31)30-13-1-2-14-30)16-23(22)25-12-6-18-15-20(27(32)33)7-11-24(18)29-25;1-2-19-15(18)11-8-9-14(13(16)10-11)17-12-6-4-3-5-7-12/h10-21,24-26,33,44H,2-9,22-23H2,1H3,(H,46,48);8-19,22-24,31H,1-7,20-21H2,(H,47,48);4-13,16-17H,2-3,14-15H2,1H3;3-12,15-16H,1-2,13-14H2,(H,32,33);8-10,12,17H,2-7,16H2,1H3.
What are the key properties of 2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinoline-6-carboxylic acid;2-[2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid;ethyl 3-amino-4-(cyclohexylamino)benzoate;ethyl 3-[[2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinoline-6-carbonyl]amino]-4-(cyclohexylamino)benzoate;methyl 2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinoline-6-carboxylate?
2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinoline-6-carboxylic acid;2-[2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid;ethyl 3-amino-4-(cyclohexylamino)benzoate;ethyl 3-[[2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinoline-6-carbonyl]amino]-4-(cyclohexylamino)benzoate;methyl 2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinoline-6-carboxylate has a molecular weight of 2546.70 g/mol, XLogP of 34.90, 27 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinoline-6-carboxylic acid;2-[2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid;ethyl 3-amino-4-(cyclohexylamino)benzoate;ethyl 3-[[2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinoline-6-carbonyl]amino]-4-(cyclohexylamino)benzoate;methyl 2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinoline-6-carboxylate is sourced from PubChem (CID 158597589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).