4-[2-[4-chloro-2-[3-(2-methylpropyl)pyrazol-1-yl]quinolin-7-yl]oxyethyl]morpholine;trans-(1R,2R)-1-[2-[(2S)-1-[(2S)-2-[2-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-oxoethyl]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid;trans-(1R,2R)-1-[2-[(2S)-1-[(2S)-2-[2-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[7-(2-morpholin-4-ylethoxy)-2-[3-(propan-2-ylamino)pyrazol-1-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid

C95H130ClN11O18 — CID 158220841

About 4-[2-[4-chloro-2-[3-(2-methylpropyl)pyrazol-1-yl]quinolin-7-yl]oxyethyl]morpholine;trans-(1R,2R)-1-[2-[(2S)-1-[(2S)-2-[2-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-oxoethyl]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid;trans-(1R,2R)-1-[2-[(2S)-1-[(2S)-2-[2-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[7-(2-morpholin-4-ylethoxy)-2-[3-(propan-2-ylamino)pyrazol-1-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid

4-[2-[4-chloro-2-[3-(2-methylpropyl)pyrazol-1-yl]quinolin-7-yl]oxyethyl]morpholine;trans-(1R,2R)-1-[2-[(2S)-1-[(2S)-2-[2-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-oxoethyl]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid;trans-(1R,2R)-1-[2-[(2S)-1-[(2S)-2-[2-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[7-(2-morpholin-4-ylethoxy)-2-[3-(propan-2-ylamino)pyrazol-1-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid (PubChem CID 158220841) has the molecular formula C95H130ClN11O18 and a molecular weight of 1749.60 g/mol. Its IUPAC name is 4-[2-[4-chloro-2-[3-(2-methylpropyl)pyrazol-1-yl]quinolin-7-yl]oxyethyl]morpholine;trans-(1R,2R)-1-[2-[(2S)-1-[(2S)-2-[2-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-oxoethyl]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid;trans-(1R,2R)-1-[2-[(2S)-1-[(2S)-2-[2-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[7-(2-morpholin-4-ylethoxy)-2-[3-(propan-2-ylamino)pyrazol-1-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid.

Molecular Properties

• Compound Name: 4-[2-[4-chloro-2-[3-(2-methylpropyl)pyrazol-1-yl]quinolin-7-yl]oxyethyl]morpholine;trans-(1R,2R)-1-[2-[(2S)-1-[(2S)-2-[2-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-oxoethyl]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid;trans-(1R,2R)-1-[2-[(2S)-1-[(2S)-2-[2-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[7-(2-morpholin-4-ylethoxy)-2-[3-(propan-2-ylamino)pyrazol-1-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid
• PubChem CID: 158220841
• Molecular Formula: C95H130ClN11O18
• Molecular Weight: 1749.60 g/mol
• Exact Mass: 1747.93
• IUPAC Name: 4-[2-[4-chloro-2-[3-(2-methylpropyl)pyrazol-1-yl]quinolin-7-yl]oxyethyl]morpholine;trans-(1R,2R)-1-[2-[(2S)-1-[(2S)-2-[2-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-oxoethyl]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid;trans-(1R,2R)-1-[2-[(2S)-1-[(2S)-2-[2-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[7-(2-morpholin-4-ylethoxy)-2-[3-(propan-2-ylamino)pyrazol-1-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid
• SMILES: CC(C)Cc1ccn(-c2cc(Cl)c3ccc(OCCN4CCOCC4)cc3n2)n1.CC[C@@H]1C[C@]1(CC(=O)[C@@H]1CC(O)CN1C(=O)[C@@H](CC(=O)OC1CC2C[C@H]2C1)C(C)(C)C)C(=O)O.CC[C@@H]1C[C@]1(CC(=O)[C@@H]1CC(Oc2cc(-n3ccc(NC(C)C)n3)nc3cc(OCCN4CCOCC4)ccc23)CN1C(=O)[C@@H](CC(=O)OC1CC2C[C@H]2C1)C(C)(C)C)C(=O)O
• InChI: InChI=1S/C47H64N6O9.C26H39NO7.C22H27ClN4O2/c1-7-31-25-47(31,45(57)58)26-39(54)38-22-34(27-52(38)44(56)36(46(4,5)6)23-43(55)62-33-19-29-18-30(29)20-33)61-40-24-42(53-11-10-41(50-53)48-28(2)3)49-37-21-32(8-9-35(37)40)60-17-14-51-12-15-59-16-13-51;1-5-16-11-26(16,24(32)33)12-21(29)20-9-17(28)13-27(20)23(31)19(25(2,3)4)10-22(30)34-18-7-14-6-15(14)8-18;1-16(2)13-17-5-6-27(25-17)22-15-20(23)19-4-3-18(14-21(19)24-22)29-12-9-26-7-10-28-11-8-26/h8-11,21,24,28-31,33-34,36,38H,7,12-20,22-23,25-27H2,1-6H3,(H,48,50)(H,57,58);14-20,28H,5-13H2,1-4H3,(H,32,33);3-6,14-16H,7-13H2,1-2H3/t29-,30?,31+,33?,34?,36+,38-,47+;14-,15?,16+,17?,18?,19+,20-,26+;/m00./s1
• InChIKey: GDFLEZHCRCKFNK-UEVCJTFJSA-N
• XLogP: 12.94
• TPSA: 348.27 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 34
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1749.60
LogP ≤ 5	12.94
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-chloro-2-[3-(2-methylpropyl)pyrazol-1-yl]quinolin-7-yl]oxyethyl]morpholine;trans-(1R,2R)-1-[2-[(2S)-1-[(2S)-2-[2-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-oxoethyl]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid;trans-(1R,2R)-1-[2-[(2S)-1-[(2S)-2-[2-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[7-(2-morpholin-4-ylethoxy)-2-[3-(propan-2-ylamino)pyrazol-1-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid?

The IUPAC name of 4-[2-[4-chloro-2-[3-(2-methylpropyl)pyrazol-1-yl]quinolin-7-yl]oxyethyl]morpholine;trans-(1R,2R)-1-[2-[(2S)-1-[(2S)-2-[2-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-oxoethyl]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid;trans-(1R,2R)-1-[2-[(2S)-1-[(2S)-2-[2-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[7-(2-morpholin-4-ylethoxy)-2-[3-(propan-2-ylamino)pyrazol-1-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid (CID 158220841) is 4-[2-[4-chloro-2-[3-(2-methylpropyl)pyrazol-1-yl]quinolin-7-yl]oxyethyl]morpholine;trans-(1R,2R)-1-[2-[(2S)-1-[(2S)-2-[2-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-oxoethyl]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid;trans-(1R,2R)-1-[2-[(2S)-1-[(2S)-2-[2-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[7-(2-morpholin-4-ylethoxy)-2-[3-(propan-2-ylamino)pyrazol-1-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid.

What is the SMILES notation for 4-[2-[4-chloro-2-[3-(2-methylpropyl)pyrazol-1-yl]quinolin-7-yl]oxyethyl]morpholine;trans-(1R,2R)-1-[2-[(2S)-1-[(2S)-2-[2-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-oxoethyl]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid;trans-(1R,2R)-1-[2-[(2S)-1-[(2S)-2-[2-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[7-(2-morpholin-4-ylethoxy)-2-[3-(propan-2-ylamino)pyrazol-1-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid?

The canonical SMILES for 4-[2-[4-chloro-2-[3-(2-methylpropyl)pyrazol-1-yl]quinolin-7-yl]oxyethyl]morpholine;trans-(1R,2R)-1-[2-[(2S)-1-[(2S)-2-[2-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-oxoethyl]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid;trans-(1R,2R)-1-[2-[(2S)-1-[(2S)-2-[2-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[7-(2-morpholin-4-ylethoxy)-2-[3-(propan-2-ylamino)pyrazol-1-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid is CC(C)Cc1ccn(-c2cc(Cl)c3ccc(OCCN4CCOCC4)cc3n2)n1.CC[C@@H]1C[C@]1(CC(=O)[C@@H]1CC(O)CN1C(=O)[C@@H](CC(=O)OC1CC2C[C@H]2C1)C(C)(C)C)C(=O)O.CC[C@@H]1C[C@]1(CC(=O)[C@@H]1CC(Oc2cc(-n3ccc(NC(C)C)n3)nc3cc(OCCN4CCOCC4)ccc23)CN1C(=O)[C@@H](CC(=O)OC1CC2C[C@H]2C1)C(C)(C)C)C(=O)O.

What is the InChIKey of 4-[2-[4-chloro-2-[3-(2-methylpropyl)pyrazol-1-yl]quinolin-7-yl]oxyethyl]morpholine;trans-(1R,2R)-1-[2-[(2S)-1-[(2S)-2-[2-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-oxoethyl]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid;trans-(1R,2R)-1-[2-[(2S)-1-[(2S)-2-[2-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[7-(2-morpholin-4-ylethoxy)-2-[3-(propan-2-ylamino)pyrazol-1-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid?

The InChIKey is GDFLEZHCRCKFNK-UEVCJTFJSA-N. The full InChI is InChI=1S/C47H64N6O9.C26H39NO7.C22H27ClN4O2/c1-7-31-25-47(31,45(57)58)26-39(54)38-22-34(27-52(38)44(56)36(46(4,5)6)23-43(55)62-33-19-29-18-30(29)20-33)61-40-24-42(53-11-10-41(50-53)48-28(2)3)49-37-21-32(8-9-35(37)40)60-17-14-51-12-15-59-16-13-51;1-5-16-11-26(16,24(32)33)12-21(29)20-9-17(28)13-27(20)23(31)19(25(2,3)4)10-22(30)34-18-7-14-6-15(14)8-18;1-16(2)13-17-5-6-27(25-17)22-15-20(23)19-4-3-18(14-21(19)24-22)29-12-9-26-7-10-28-11-8-26/h8-11,21,24,28-31,33-34,36,38H,7,12-20,22-23,25-27H2,1-6H3,(H,48,50)(H,57,58);14-20,28H,5-13H2,1-4H3,(H,32,33);3-6,14-16H,7-13H2,1-2H3/t29-,30?,31+,33?,34?,36+,38-,47+;14-,15?,16+,17?,18?,19+,20-,26+;/m00./s1.

What are the key properties of 4-[2-[4-chloro-2-[3-(2-methylpropyl)pyrazol-1-yl]quinolin-7-yl]oxyethyl]morpholine;trans-(1R,2R)-1-[2-[(2S)-1-[(2S)-2-[2-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-oxoethyl]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid;trans-(1R,2R)-1-[2-[(2S)-1-[(2S)-2-[2-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[7-(2-morpholin-4-ylethoxy)-2-[3-(propan-2-ylamino)pyrazol-1-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid?

4-[2-[4-chloro-2-[3-(2-methylpropyl)pyrazol-1-yl]quinolin-7-yl]oxyethyl]morpholine;trans-(1R,2R)-1-[2-[(2S)-1-[(2S)-2-[2-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-oxoethyl]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid;trans-(1R,2R)-1-[2-[(2S)-1-[(2S)-2-[2-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[7-(2-morpholin-4-ylethoxy)-2-[3-(propan-2-ylamino)pyrazol-1-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid has a molecular weight of 1749.60 g/mol, XLogP of 12.94, 34 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[4-chloro-2-[3-(2-methylpropyl)pyrazol-1-yl]quinolin-7-yl]oxyethyl]morpholine;trans-(1R,2R)-1-[2-[(2S)-1-[(2S)-2-[2-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-oxoethyl]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid;trans-(1R,2R)-1-[2-[(2S)-1-[(2S)-2-[2-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[7-(2-morpholin-4-ylethoxy)-2-[3-(propan-2-ylamino)pyrazol-1-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 158220841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).