tetrakis(carbon dioxide);2-chloro-6-methyl-3-[(5R)-5-methylpyrrolidin-3-yl]oxyquinoxaline;3,3-dimethyl-2-[[(2R)-2-[5-[6-methyl-3-[(5R)-5-methylpyrrolidin-3-yl]oxyquinoxalin-2-yl]pentyl]cyclopropyl]oxycarbonylamino]butanoic acid;(2S)-3,3-dimethyl-2-[[(2R)-2-[5-[6-methyl-3-[(5R)-5-methylpyrrolidin-3-yl]oxyquinoxalin-2-yl]pent-4-ynyl]cyclopropyl]oxycarbonylamino]butanoic acid;methyl (18R,24S,27S)-24-tert-butyl-7-methyl-22,25-dioxo-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-27-carboxylate;[(2R)-2-pent-4-ynylcyclopropyl] N-(2,2-dimethylpropyl)carbamate

C120H159ClN16O27 — CID 157212271

About tetrakis(carbon dioxide);2-chloro-6-methyl-3-[(5R)-5-methylpyrrolidin-3-yl]oxyquinoxaline;3,3-dimethyl-2-[[(2R)-2-[5-[6-methyl-3-[(5R)-5-methylpyrrolidin-3-yl]oxyquinoxalin-2-yl]pentyl]cyclopropyl]oxycarbonylamino]butanoic acid;(2S)-3,3-dimethyl-2-[[(2R)-2-[5-[6-methyl-3-[(5R)-5-methylpyrrolidin-3-yl]oxyquinoxalin-2-yl]pent-4-ynyl]cyclopropyl]oxycarbonylamino]butanoic acid;methyl (18R,24S,27S)-24-tert-butyl-7-methyl-22,25-dioxo-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-27-carboxylate;[(2R)-2-pent-4-ynylcyclopropyl] N-(2,2-dimethylpropyl)carbamate

tetrakis(carbon dioxide);2-chloro-6-methyl-3-[(5R)-5-methylpyrrolidin-3-yl]oxyquinoxaline;3,3-dimethyl-2-[[(2R)-2-[5-[6-methyl-3-[(5R)-5-methylpyrrolidin-3-yl]oxyquinoxalin-2-yl]pentyl]cyclopropyl]oxycarbonylamino]butanoic acid;(2S)-3,3-dimethyl-2-[[(2R)-2-[5-[6-methyl-3-[(5R)-5-methylpyrrolidin-3-yl]oxyquinoxalin-2-yl]pent-4-ynyl]cyclopropyl]oxycarbonylamino]butanoic acid;methyl (18R,24S,27S)-24-tert-butyl-7-methyl-22,25-dioxo-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-27-carboxylate;[(2R)-2-pent-4-ynylcyclopropyl] N-(2,2-dimethylpropyl)carbamate (PubChem CID 157212271) has the molecular formula C120H159ClN16O27 and a molecular weight of 2293.13 g/mol. Its IUPAC name is tetrakis(carbon dioxide);2-chloro-6-methyl-3-[(5R)-5-methylpyrrolidin-3-yl]oxyquinoxaline;3,3-dimethyl-2-[[(2R)-2-[5-[6-methyl-3-[(5R)-5-methylpyrrolidin-3-yl]oxyquinoxalin-2-yl]pentyl]cyclopropyl]oxycarbonylamino]butanoic acid;(2S)-3,3-dimethyl-2-[[(2R)-2-[5-[6-methyl-3-[(5R)-5-methylpyrrolidin-3-yl]oxyquinoxalin-2-yl]pent-4-ynyl]cyclopropyl]oxycarbonylamino]butanoic acid;methyl (18R,24S,27S)-24-tert-butyl-7-methyl-22,25-dioxo-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-27-carboxylate;[(2R)-2-pent-4-ynylcyclopropyl] N-(2,2-dimethylpropyl)carbamate.

Molecular Properties

• Compound Name: tetrakis(carbon dioxide);2-chloro-6-methyl-3-[(5R)-5-methylpyrrolidin-3-yl]oxyquinoxaline;3,3-dimethyl-2-[[(2R)-2-[5-[6-methyl-3-[(5R)-5-methylpyrrolidin-3-yl]oxyquinoxalin-2-yl]pentyl]cyclopropyl]oxycarbonylamino]butanoic acid;(2S)-3,3-dimethyl-2-[[(2R)-2-[5-[6-methyl-3-[(5R)-5-methylpyrrolidin-3-yl]oxyquinoxalin-2-yl]pent-4-ynyl]cyclopropyl]oxycarbonylamino]butanoic acid;methyl (18R,24S,27S)-24-tert-butyl-7-methyl-22,25-dioxo-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-27-carboxylate;[(2R)-2-pent-4-ynylcyclopropyl] N-(2,2-dimethylpropyl)carbamate
• PubChem CID: 157212271
• Molecular Formula: C120H159ClN16O27
• Molecular Weight: 2293.13 g/mol
• Exact Mass: 2291.12
• IUPAC Name: tetrakis(carbon dioxide);2-chloro-6-methyl-3-[(5R)-5-methylpyrrolidin-3-yl]oxyquinoxaline;3,3-dimethyl-2-[[(2R)-2-[5-[6-methyl-3-[(5R)-5-methylpyrrolidin-3-yl]oxyquinoxalin-2-yl]pentyl]cyclopropyl]oxycarbonylamino]butanoic acid;(2S)-3,3-dimethyl-2-[[(2R)-2-[5-[6-methyl-3-[(5R)-5-methylpyrrolidin-3-yl]oxyquinoxalin-2-yl]pent-4-ynyl]cyclopropyl]oxycarbonylamino]butanoic acid;methyl (18R,24S,27S)-24-tert-butyl-7-methyl-22,25-dioxo-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-27-carboxylate;[(2R)-2-pent-4-ynylcyclopropyl] N-(2,2-dimethylpropyl)carbamate
• SMILES: C#CCCC[C@@H]1CC1OC(=O)NCC(C)(C)C.COC(=O)[C@@H]1CC2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OC1C[C@H]1CCCCCc1nc3ccc(C)cc3nc1O2.Cc1ccc2nc(C#CCCC[C@@H]3CC3OC(=O)N[C@H](C(=O)O)C(C)(C)C)c(OC3CN[C@H](C)C3)nc2c1.Cc1ccc2nc(CCCCC[C@@H]3CC3OC(=O)NC(C(=O)O)C(C)(C)C)c(OC3CN[C@H](C)C3)nc2c1.Cc1ccc2nc(Cl)c(OC3CN[C@H](C)C3)nc2c1.O=C=O.O=C=O.O=C=O.O=C=O
• InChI: InChI=1S/C30H40N4O6.C29H42N4O5.C29H38N4O5.C14H16ClN3O.C14H23NO2.4CO2/c1-17-11-12-20-22(13-17)32-26-21(31-20)10-8-6-7-9-18-14-24(18)40-29(37)33-25(30(2,3)4)27(35)34-16-19(39-26)15-23(34)28(36)38-5;2*1-17-11-12-21-23(13-17)32-26(37-20-14-18(2)30-16-20)22(31-21)10-8-6-7-9-19-15-24(19)38-28(36)33-25(27(34)35)29(3,4)5;1-8-3-4-11-12(5-8)18-14(13(15)17-11)19-10-6-9(2)16-7-10;1-5-6-7-8-11-9-12(11)17-13(16)15-10-14(2,3)4;4*2-1-3/h11-13,18-19,23-25H,6-10,14-16H2,1-5H3,(H,33,37);11-13,18-20,24-25,30H,6-10,14-16H2,1-5H3,(H,33,36)(H,34,35);11-13,18-20,24-25,30H,6-7,9,14-16H2,1-5H3,(H,33,36)(H,34,35);3-5,9-10,16H,6-7H2,1-2H3;1,11-12H,6-10H2,2-4H3,(H,15,16);;;;/t18-,19?,23+,24?,25-;18-,19-,20?,24?,25?;18-,19-,20?,24?,25-;9-,10?;11-,12?;;;;/m11111..../s1
• InChIKey: ASAFWKHFJWDLBJ-NPUVAXPGSA-N
• XLogP: 16.43
• TPSA: 587.22 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 36
• Rotatable Bonds: 27
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2293.13
LogP ≤ 5	16.43
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tetrakis(carbon dioxide);2-chloro-6-methyl-3-[(5R)-5-methylpyrrolidin-3-yl]oxyquinoxaline;3,3-dimethyl-2-[[(2R)-2-[5-[6-methyl-3-[(5R)-5-methylpyrrolidin-3-yl]oxyquinoxalin-2-yl]pentyl]cyclopropyl]oxycarbonylamino]butanoic acid;(2S)-3,3-dimethyl-2-[[(2R)-2-[5-[6-methyl-3-[(5R)-5-methylpyrrolidin-3-yl]oxyquinoxalin-2-yl]pent-4-ynyl]cyclopropyl]oxycarbonylamino]butanoic acid;methyl (18R,24S,27S)-24-tert-butyl-7-methyl-22,25-dioxo-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-27-carboxylate;[(2R)-2-pent-4-ynylcyclopropyl] N-(2,2-dimethylpropyl)carbamate?

The IUPAC name of tetrakis(carbon dioxide);2-chloro-6-methyl-3-[(5R)-5-methylpyrrolidin-3-yl]oxyquinoxaline;3,3-dimethyl-2-[[(2R)-2-[5-[6-methyl-3-[(5R)-5-methylpyrrolidin-3-yl]oxyquinoxalin-2-yl]pentyl]cyclopropyl]oxycarbonylamino]butanoic acid;(2S)-3,3-dimethyl-2-[[(2R)-2-[5-[6-methyl-3-[(5R)-5-methylpyrrolidin-3-yl]oxyquinoxalin-2-yl]pent-4-ynyl]cyclopropyl]oxycarbonylamino]butanoic acid;methyl (18R,24S,27S)-24-tert-butyl-7-methyl-22,25-dioxo-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-27-carboxylate;[(2R)-2-pent-4-ynylcyclopropyl] N-(2,2-dimethylpropyl)carbamate (CID 157212271) is tetrakis(carbon dioxide);2-chloro-6-methyl-3-[(5R)-5-methylpyrrolidin-3-yl]oxyquinoxaline;3,3-dimethyl-2-[[(2R)-2-[5-[6-methyl-3-[(5R)-5-methylpyrrolidin-3-yl]oxyquinoxalin-2-yl]pentyl]cyclopropyl]oxycarbonylamino]butanoic acid;(2S)-3,3-dimethyl-2-[[(2R)-2-[5-[6-methyl-3-[(5R)-5-methylpyrrolidin-3-yl]oxyquinoxalin-2-yl]pent-4-ynyl]cyclopropyl]oxycarbonylamino]butanoic acid;methyl (18R,24S,27S)-24-tert-butyl-7-methyl-22,25-dioxo-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-27-carboxylate;[(2R)-2-pent-4-ynylcyclopropyl] N-(2,2-dimethylpropyl)carbamate.

What is the SMILES notation for tetrakis(carbon dioxide);2-chloro-6-methyl-3-[(5R)-5-methylpyrrolidin-3-yl]oxyquinoxaline;3,3-dimethyl-2-[[(2R)-2-[5-[6-methyl-3-[(5R)-5-methylpyrrolidin-3-yl]oxyquinoxalin-2-yl]pentyl]cyclopropyl]oxycarbonylamino]butanoic acid;(2S)-3,3-dimethyl-2-[[(2R)-2-[5-[6-methyl-3-[(5R)-5-methylpyrrolidin-3-yl]oxyquinoxalin-2-yl]pent-4-ynyl]cyclopropyl]oxycarbonylamino]butanoic acid;methyl (18R,24S,27S)-24-tert-butyl-7-methyl-22,25-dioxo-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-27-carboxylate;[(2R)-2-pent-4-ynylcyclopropyl] N-(2,2-dimethylpropyl)carbamate?

The canonical SMILES for tetrakis(carbon dioxide);2-chloro-6-methyl-3-[(5R)-5-methylpyrrolidin-3-yl]oxyquinoxaline;3,3-dimethyl-2-[[(2R)-2-[5-[6-methyl-3-[(5R)-5-methylpyrrolidin-3-yl]oxyquinoxalin-2-yl]pentyl]cyclopropyl]oxycarbonylamino]butanoic acid;(2S)-3,3-dimethyl-2-[[(2R)-2-[5-[6-methyl-3-[(5R)-5-methylpyrrolidin-3-yl]oxyquinoxalin-2-yl]pent-4-ynyl]cyclopropyl]oxycarbonylamino]butanoic acid;methyl (18R,24S,27S)-24-tert-butyl-7-methyl-22,25-dioxo-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-27-carboxylate;[(2R)-2-pent-4-ynylcyclopropyl] N-(2,2-dimethylpropyl)carbamate is C#CCCC[C@@H]1CC1OC(=O)NCC(C)(C)C.COC(=O)[C@@H]1CC2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OC1C[C@H]1CCCCCc1nc3ccc(C)cc3nc1O2.Cc1ccc2nc(C#CCCC[C@@H]3CC3OC(=O)N[C@H](C(=O)O)C(C)(C)C)c(OC3CN[C@H](C)C3)nc2c1.Cc1ccc2nc(CCCCC[C@@H]3CC3OC(=O)NC(C(=O)O)C(C)(C)C)c(OC3CN[C@H](C)C3)nc2c1.Cc1ccc2nc(Cl)c(OC3CN[C@H](C)C3)nc2c1.O=C=O.O=C=O.O=C=O.O=C=O.

What is the InChIKey of tetrakis(carbon dioxide);2-chloro-6-methyl-3-[(5R)-5-methylpyrrolidin-3-yl]oxyquinoxaline;3,3-dimethyl-2-[[(2R)-2-[5-[6-methyl-3-[(5R)-5-methylpyrrolidin-3-yl]oxyquinoxalin-2-yl]pentyl]cyclopropyl]oxycarbonylamino]butanoic acid;(2S)-3,3-dimethyl-2-[[(2R)-2-[5-[6-methyl-3-[(5R)-5-methylpyrrolidin-3-yl]oxyquinoxalin-2-yl]pent-4-ynyl]cyclopropyl]oxycarbonylamino]butanoic acid;methyl (18R,24S,27S)-24-tert-butyl-7-methyl-22,25-dioxo-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-27-carboxylate;[(2R)-2-pent-4-ynylcyclopropyl] N-(2,2-dimethylpropyl)carbamate?

The InChIKey is ASAFWKHFJWDLBJ-NPUVAXPGSA-N. The full InChI is InChI=1S/C30H40N4O6.C29H42N4O5.C29H38N4O5.C14H16ClN3O.C14H23NO2.4CO2/c1-17-11-12-20-22(13-17)32-26-21(31-20)10-8-6-7-9-18-14-24(18)40-29(37)33-25(30(2,3)4)27(35)34-16-19(39-26)15-23(34)28(36)38-5;2*1-17-11-12-21-23(13-17)32-26(37-20-14-18(2)30-16-20)22(31-21)10-8-6-7-9-19-15-24(19)38-28(36)33-25(27(34)35)29(3,4)5;1-8-3-4-11-12(5-8)18-14(13(15)17-11)19-10-6-9(2)16-7-10;1-5-6-7-8-11-9-12(11)17-13(16)15-10-14(2,3)4;4*2-1-3/h11-13,18-19,23-25H,6-10,14-16H2,1-5H3,(H,33,37);11-13,18-20,24-25,30H,6-10,14-16H2,1-5H3,(H,33,36)(H,34,35);11-13,18-20,24-25,30H,6-7,9,14-16H2,1-5H3,(H,33,36)(H,34,35);3-5,9-10,16H,6-7H2,1-2H3;1,11-12H,6-10H2,2-4H3,(H,15,16);;;;/t18-,19?,23+,24?,25-;18-,19-,20?,24?,25?;18-,19-,20?,24?,25-;9-,10?;11-,12?;;;;/m11111..../s1.

What are the key properties of tetrakis(carbon dioxide);2-chloro-6-methyl-3-[(5R)-5-methylpyrrolidin-3-yl]oxyquinoxaline;3,3-dimethyl-2-[[(2R)-2-[5-[6-methyl-3-[(5R)-5-methylpyrrolidin-3-yl]oxyquinoxalin-2-yl]pentyl]cyclopropyl]oxycarbonylamino]butanoic acid;(2S)-3,3-dimethyl-2-[[(2R)-2-[5-[6-methyl-3-[(5R)-5-methylpyrrolidin-3-yl]oxyquinoxalin-2-yl]pent-4-ynyl]cyclopropyl]oxycarbonylamino]butanoic acid;methyl (18R,24S,27S)-24-tert-butyl-7-methyl-22,25-dioxo-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-27-carboxylate;[(2R)-2-pent-4-ynylcyclopropyl] N-(2,2-dimethylpropyl)carbamate?

tetrakis(carbon dioxide);2-chloro-6-methyl-3-[(5R)-5-methylpyrrolidin-3-yl]oxyquinoxaline;3,3-dimethyl-2-[[(2R)-2-[5-[6-methyl-3-[(5R)-5-methylpyrrolidin-3-yl]oxyquinoxalin-2-yl]pentyl]cyclopropyl]oxycarbonylamino]butanoic acid;(2S)-3,3-dimethyl-2-[[(2R)-2-[5-[6-methyl-3-[(5R)-5-methylpyrrolidin-3-yl]oxyquinoxalin-2-yl]pent-4-ynyl]cyclopropyl]oxycarbonylamino]butanoic acid;methyl (18R,24S,27S)-24-tert-butyl-7-methyl-22,25-dioxo-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-27-carboxylate;[(2R)-2-pent-4-ynylcyclopropyl] N-(2,2-dimethylpropyl)carbamate has a molecular weight of 2293.13 g/mol, XLogP of 16.43, 27 rotatable bonds, 9 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(carbon dioxide);2-chloro-6-methyl-3-[(5R)-5-methylpyrrolidin-3-yl]oxyquinoxaline;3,3-dimethyl-2-[[(2R)-2-[5-[6-methyl-3-[(5R)-5-methylpyrrolidin-3-yl]oxyquinoxalin-2-yl]pentyl]cyclopropyl]oxycarbonylamino]butanoic acid;(2S)-3,3-dimethyl-2-[[(2R)-2-[5-[6-methyl-3-[(5R)-5-methylpyrrolidin-3-yl]oxyquinoxalin-2-yl]pent-4-ynyl]cyclopropyl]oxycarbonylamino]butanoic acid;methyl (18R,24S,27S)-24-tert-butyl-7-methyl-22,25-dioxo-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-27-carboxylate;[(2R)-2-pent-4-ynylcyclopropyl] N-(2,2-dimethylpropyl)carbamate is sourced from PubChem (CID 157212271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).