[(2S)-1-(2-chloroquinolin-4-yl)pyrrolidin-2-yl]methanol;bis([(2S)-1-(4-chloroquinolin-2-yl)pyrrolidin-2-yl]methanol);2,4-dichloroquinoline;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinolin-2-yl]pyrrolidin-2-yl]methanol

C94H105Cl5N16O11 — CID 167668418

About [(2S)-1-(2-chloroquinolin-4-yl)pyrrolidin-2-yl]methanol;bis([(2S)-1-(4-chloroquinolin-2-yl)pyrrolidin-2-yl]methanol);2,4-dichloroquinoline;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinolin-2-yl]pyrrolidin-2-yl]methanol

[(2S)-1-(2-chloroquinolin-4-yl)pyrrolidin-2-yl]methanol;bis([(2S)-1-(4-chloroquinolin-2-yl)pyrrolidin-2-yl]methanol);2,4-dichloroquinoline;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinolin-2-yl]pyrrolidin-2-yl]methanol (PubChem CID 167668418) has the molecular formula C94H105Cl5N16O11 and a molecular weight of 1812.24 g/mol. Its IUPAC name is [(2S)-1-(2-chloroquinolin-4-yl)pyrrolidin-2-yl]methanol;bis([(2S)-1-(4-chloroquinolin-2-yl)pyrrolidin-2-yl]methanol);2,4-dichloroquinoline;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinolin-2-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

• Compound Name: [(2S)-1-(2-chloroquinolin-4-yl)pyrrolidin-2-yl]methanol;bis([(2S)-1-(4-chloroquinolin-2-yl)pyrrolidin-2-yl]methanol);2,4-dichloroquinoline;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinolin-2-yl]pyrrolidin-2-yl]methanol
• PubChem CID: 167668418
• Molecular Formula: C94H105Cl5N16O11
• Molecular Weight: 1812.24 g/mol
• Exact Mass: 1808.66
• IUPAC Name: [(2S)-1-(2-chloroquinolin-4-yl)pyrrolidin-2-yl]methanol;bis([(2S)-1-(4-chloroquinolin-2-yl)pyrrolidin-2-yl]methanol);2,4-dichloroquinoline;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinolin-2-yl]pyrrolidin-2-yl]methanol
• SMILES: COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3cc(N4CCC[C@H]4CO)nc4ccccc34)c2)cc(OC)c1OC.Clc1cc(Cl)c2ccccc2n1.OC[C@@H]1CCCN1.OC[C@@H]1CCCN1c1cc(Cl)c2ccccc2n1.OC[C@@H]1CCCN1c1cc(Cl)c2ccccc2n1.OC[C@@H]1CCCN1c1cc(Cl)nc2ccccc12
• InChI: InChI=1S/C26H29N5O4.3C14H15ClN2O.C12H15N3O3.C9H5Cl2N.C5H11NO/c1-33-22-11-18(12-23(34-2)26(22)35-3)30-14-24(27-16-30)28-21-13-25(31-10-6-7-17(31)15-32)29-20-9-5-4-8-19(20)21;2*15-12-8-14(17-7-3-4-10(17)9-18)16-13-6-2-1-5-11(12)13;15-14-8-13(17-7-3-4-10(17)9-18)11-5-1-2-6-12(11)16-14;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;10-7-5-9(11)12-8-4-2-1-3-6(7)8;7-4-5-2-1-3-6-5/h4-5,8-9,11-14,16-17,32H,6-7,10,15H2,1-3H3,(H,28,29);3*1-2,5-6,8,10,18H,3-4,7,9H2;4-7H,13H2,1-3H3;1-5H;5-7H,1-4H2/t17-;3*10-;;;5-/m0000..0/s1
• InChIKey: SYZVUXIHAGAATJ-RLMZQGMLSA-N
• XLogP: 17.45
• TPSA: 319.66 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 19
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1812.24
LogP ≤ 5	17.45
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-chloroquinolin-4-yl)pyrrolidin-2-yl]methanol;bis([(2S)-1-(4-chloroquinolin-2-yl)pyrrolidin-2-yl]methanol);2,4-dichloroquinoline;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinolin-2-yl]pyrrolidin-2-yl]methanol?

The IUPAC name of [(2S)-1-(2-chloroquinolin-4-yl)pyrrolidin-2-yl]methanol;bis([(2S)-1-(4-chloroquinolin-2-yl)pyrrolidin-2-yl]methanol);2,4-dichloroquinoline;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinolin-2-yl]pyrrolidin-2-yl]methanol (CID 167668418) is [(2S)-1-(2-chloroquinolin-4-yl)pyrrolidin-2-yl]methanol;bis([(2S)-1-(4-chloroquinolin-2-yl)pyrrolidin-2-yl]methanol);2,4-dichloroquinoline;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinolin-2-yl]pyrrolidin-2-yl]methanol.

What is the SMILES notation for [(2S)-1-(2-chloroquinolin-4-yl)pyrrolidin-2-yl]methanol;bis([(2S)-1-(4-chloroquinolin-2-yl)pyrrolidin-2-yl]methanol);2,4-dichloroquinoline;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinolin-2-yl]pyrrolidin-2-yl]methanol?

The canonical SMILES for [(2S)-1-(2-chloroquinolin-4-yl)pyrrolidin-2-yl]methanol;bis([(2S)-1-(4-chloroquinolin-2-yl)pyrrolidin-2-yl]methanol);2,4-dichloroquinoline;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinolin-2-yl]pyrrolidin-2-yl]methanol is COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3cc(N4CCC[C@H]4CO)nc4ccccc34)c2)cc(OC)c1OC.Clc1cc(Cl)c2ccccc2n1.OC[C@@H]1CCCN1.OC[C@@H]1CCCN1c1cc(Cl)c2ccccc2n1.OC[C@@H]1CCCN1c1cc(Cl)c2ccccc2n1.OC[C@@H]1CCCN1c1cc(Cl)nc2ccccc12.

What is the InChIKey of [(2S)-1-(2-chloroquinolin-4-yl)pyrrolidin-2-yl]methanol;bis([(2S)-1-(4-chloroquinolin-2-yl)pyrrolidin-2-yl]methanol);2,4-dichloroquinoline;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinolin-2-yl]pyrrolidin-2-yl]methanol?

The InChIKey is SYZVUXIHAGAATJ-RLMZQGMLSA-N. The full InChI is InChI=1S/C26H29N5O4.3C14H15ClN2O.C12H15N3O3.C9H5Cl2N.C5H11NO/c1-33-22-11-18(12-23(34-2)26(22)35-3)30-14-24(27-16-30)28-21-13-25(31-10-6-7-17(31)15-32)29-20-9-5-4-8-19(20)21;2*15-12-8-14(17-7-3-4-10(17)9-18)16-13-6-2-1-5-11(12)13;15-14-8-13(17-7-3-4-10(17)9-18)11-5-1-2-6-12(11)16-14;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;10-7-5-9(11)12-8-4-2-1-3-6(7)8;7-4-5-2-1-3-6-5/h4-5,8-9,11-14,16-17,32H,6-7,10,15H2,1-3H3,(H,28,29);3*1-2,5-6,8,10,18H,3-4,7,9H2;4-7H,13H2,1-3H3;1-5H;5-7H,1-4H2/t17-;3*10-;;;5-/m0000..0/s1.

What are the key properties of [(2S)-1-(2-chloroquinolin-4-yl)pyrrolidin-2-yl]methanol;bis([(2S)-1-(4-chloroquinolin-2-yl)pyrrolidin-2-yl]methanol);2,4-dichloroquinoline;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinolin-2-yl]pyrrolidin-2-yl]methanol?

[(2S)-1-(2-chloroquinolin-4-yl)pyrrolidin-2-yl]methanol;bis([(2S)-1-(4-chloroquinolin-2-yl)pyrrolidin-2-yl]methanol);2,4-dichloroquinoline;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinolin-2-yl]pyrrolidin-2-yl]methanol has a molecular weight of 1812.24 g/mol, XLogP of 17.45, 19 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-1-(2-chloroquinolin-4-yl)pyrrolidin-2-yl]methanol;bis([(2S)-1-(4-chloroquinolin-2-yl)pyrrolidin-2-yl]methanol);2,4-dichloroquinoline;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinolin-2-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 167668418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).