tert-butyl 2-(2-chloro-7-fluoroquinolin-3-yl)pyrrolidine-1-carboxylate;tert-butyl 2-(7-fluoro-2-pyridin-2-ylquinolin-3-yl)pyrrolidine-1-carboxylate;6-chloro-7H-purine;7-fluoro-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]-2-pyridin-2-ylquinoline;7-fluoro-2-pyridin-2-yl-3-pyrrolidin-2-ylquinoline;tributyl(pyridin-2-yl)stannane

C104H112Cl2F4N20O4Sn — CID 160649568

IUPACtert-butyl 2-(2-chloro-7-fluoroquinolin-3-yl)pyrrolidine-1-carboxylate;tert-butyl 2-(7-fluoro-2-pyridin-2-ylquinolin-3-yl)pyrrolidine-1-carboxylate;6-chloro-7H-purine;7-fluoro-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]-2-pyridin-2-ylquinoline;7-fluoro-2-pyridin-2-yl-3-pyrrolidin-2-ylquinoline;tributyl(pyridin-2-yl)stannane
SMILESCC(C)(C)OC(=O)N1CCCC1c1cc2ccc(F)cc2nc1-c1ccccn1.CC(C)(C)OC(=O)N1CCCC1c1cc2ccc(F)cc2nc1Cl.CCCC[Sn](CCCC)(CCCC)c1ccccn1.Clc1ncnc2nc[nH]c12.Fc1ccc2cc(C3CCCN3)c(-c3ccccn3)nc2c1.Fc1ccc2cc(C3CCCN3c3ncnc4nc[nH]c34)c(-c3ccccn3)nc2c1
InChIInChI=1S/C23H18FN7.C23H24FN3O2.C18H20ClFN2O2.C18H16FN3.C5H3ClN4.C5H4N.3C4H9.Sn/c24-15-7-6-14-10-16(20(30-18(14)11-15)17-4-1-2-8-25-17)19-5-3-9-31(19)23-21-22(27-12-26-21)28-13-29-23;1-23(2,3)29-22(28)27-12-6-8-20(27)17-13-15-9-10-16(24)14-19(15)26-21(17)18-7-4-5-11-25-18;1-18(2,3)24-17(23)22-8-4-5-15(22)13-9-11-6-7-12(20)10-14(11)21-16(13)19;19-13-7-6-12-10-14(15-5-3-9-20-15)18(22-17(12)11-13)16-4-1-2-8-21-16;6-4-3-5(9-1-7-3)10-2-8-4;1-2-4-6-5-3-1;3*1-3-4-2;/h1-2,4,6-8,10-13,19H,3,5,9H2,(H,26,27,28,29);4-5,7,9-11,13-14,20H,6,8,12H2,1-3H3;6-7,9-10,15H,4-5,8H2,1-3H3;1-2,4,6-8,10-11,15,20H,3,5,9H2;1-2H,(H,7,8,9,10);1-4H;3*1,3-4H2,2H3;
InChIKeyRKFWDZKIPNYHDK-UHFFFAOYSA-N
MW1971.78 g/mol
LogP25.06
Rot. Bonds18

About tert-butyl 2-(2-chloro-7-fluoroquinolin-3-yl)pyrrolidine-1-carboxylate;tert-butyl 2-(7-fluoro-2-pyridin-2-ylquinolin-3-yl)pyrrolidine-1-carboxylate;6-chloro-7H-purine;7-fluoro-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]-2-pyridin-2-ylquinoline;7-fluoro-2-pyridin-2-yl-3-pyrrolidin-2-ylquinoline;tributyl(pyridin-2-yl)stannane

tert-butyl 2-(2-chloro-7-fluoroquinolin-3-yl)pyrrolidine-1-carboxylate;tert-butyl 2-(7-fluoro-2-pyridin-2-ylquinolin-3-yl)pyrrolidine-1-carboxylate;6-chloro-7H-purine;7-fluoro-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]-2-pyridin-2-ylquinoline;7-fluoro-2-pyridin-2-yl-3-pyrrolidin-2-ylquinoline;tributyl(pyridin-2-yl)stannane (PubChem CID 160649568) has the molecular formula C104H112Cl2F4N20O4Sn and a molecular weight of 1971.78 g/mol. Its IUPAC name is tert-butyl 2-(2-chloro-7-fluoroquinolin-3-yl)pyrrolidine-1-carboxylate;tert-butyl 2-(7-fluoro-2-pyridin-2-ylquinolin-3-yl)pyrrolidine-1-carboxylate;6-chloro-7H-purine;7-fluoro-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]-2-pyridin-2-ylquinoline;7-fluoro-2-pyridin-2-yl-3-pyrrolidin-2-ylquinoline;tributyl(pyridin-2-yl)stannane.

Molecular Properties

Compound Nametert-butyl 2-(2-chloro-7-fluoroquinolin-3-yl)pyrrolidine-1-carboxylate;tert-butyl 2-(7-fluoro-2-pyridin-2-ylquinolin-3-yl)pyrrolidine-1-carboxylate;6-chloro-7H-purine;7-fluoro-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]-2-pyridin-2-ylquinoline;7-fluoro-2-pyridin-2-yl-3-pyrrolidin-2-ylquinoline;tributyl(pyridin-2-yl)stannane
PubChem CID160649568
Molecular FormulaC104H112Cl2F4N20O4Sn
Molecular Weight1971.78 g/mol
Exact Mass1970.75
IUPAC Nametert-butyl 2-(2-chloro-7-fluoroquinolin-3-yl)pyrrolidine-1-carboxylate;tert-butyl 2-(7-fluoro-2-pyridin-2-ylquinolin-3-yl)pyrrolidine-1-carboxylate;6-chloro-7H-purine;7-fluoro-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]-2-pyridin-2-ylquinoline;7-fluoro-2-pyridin-2-yl-3-pyrrolidin-2-ylquinoline;tributyl(pyridin-2-yl)stannane
SMILESCC(C)(C)OC(=O)N1CCCC1c1cc2ccc(F)cc2nc1-c1ccccn1.CC(C)(C)OC(=O)N1CCCC1c1cc2ccc(F)cc2nc1Cl.CCCC[Sn](CCCC)(CCCC)c1ccccn1.Clc1ncnc2nc[nH]c12.Fc1ccc2cc(C3CCCN3)c(-c3ccccn3)nc2c1.Fc1ccc2cc(C3CCCN3c3ncnc4nc[nH]c34)c(-c3ccccn3)nc2c1
InChIInChI=1S/C23H18FN7.C23H24FN3O2.C18H20ClFN2O2.C18H16FN3.C5H3ClN4.C5H4N.3C4H9.Sn/c24-15-7-6-14-10-16(20(30-18(14)11-15)17-4-1-2-8-25-17)19-5-3-9-31(19)23-21-22(27-12-26-21)28-13-29-23;1-23(2,3)29-22(28)27-12-6-8-20(27)17-13-15-9-10-16(24)14-19(15)26-21(17)18-7-4-5-11-25-18;1-18(2,3)24-17(23)22-8-4-5-15(22)13-9-11-6-7-12(20)10-14(11)21-16(13)19;19-13-7-6-12-10-14(15-5-3-9-20-15)18(22-17(12)11-13)16-4-1-2-8-21-16;6-4-3-5(9-1-7-3)10-2-8-4;1-2-4-6-5-3-1;3*1-3-4-2;/h1-2,4,6-8,10-13,19H,3,5,9H2,(H,26,27,28,29);4-5,7,9-11,13-14,20H,6,8,12H2,1-3H3;6-7,9-10,15H,4-5,8H2,1-3H3;1-2,4,6-8,10-11,15,20H,3,5,9H2;1-2H,(H,7,8,9,10);1-4H;3*1,3-4H2,2H3;
InChIKeyRKFWDZKIPNYHDK-UHFFFAOYSA-N
XLogP25.06
TPSA286.39 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds18
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001971.78
LogP ≤ 525.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze tert-butyl 2-(2-chloro-7-fluoroquinolin-3-yl)pyrrolidine-1-carboxylate;tert-butyl 2-(7-fluoro-2-pyridin-2-ylquinolin-3-yl)pyrrolidine-1-carboxylate;6-chloro-7H-purine;7-fluoro-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]-2-pyridin-2-ylquinoline;7-fluoro-2-pyridin-2-yl-3-pyrrolidin-2-ylquinoline;tributyl(pyridin-2-yl)stannane with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-chloro-7-fluoroquinolin-3-yl)pyrrolidine-1-carboxylate;tert-butyl 2-(7-fluoro-2-pyridin-2-ylquinolin-3-yl)pyrrolidine-1-carboxylate;6-chloro-7H-purine;7-fluoro-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]-2-pyridin-2-ylquinoline;7-fluoro-2-pyridin-2-yl-3-pyrrolidin-2-ylquinoline;tributyl(pyridin-2-yl)stannane?
The IUPAC name of tert-butyl 2-(2-chloro-7-fluoroquinolin-3-yl)pyrrolidine-1-carboxylate;tert-butyl 2-(7-fluoro-2-pyridin-2-ylquinolin-3-yl)pyrrolidine-1-carboxylate;6-chloro-7H-purine;7-fluoro-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]-2-pyridin-2-ylquinoline;7-fluoro-2-pyridin-2-yl-3-pyrrolidin-2-ylquinoline;tributyl(pyridin-2-yl)stannane (CID 160649568) is tert-butyl 2-(2-chloro-7-fluoroquinolin-3-yl)pyrrolidine-1-carboxylate;tert-butyl 2-(7-fluoro-2-pyridin-2-ylquinolin-3-yl)pyrrolidine-1-carboxylate;6-chloro-7H-purine;7-fluoro-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]-2-pyridin-2-ylquinoline;7-fluoro-2-pyridin-2-yl-3-pyrrolidin-2-ylquinoline;tributyl(pyridin-2-yl)stannane.
What is the SMILES notation for tert-butyl 2-(2-chloro-7-fluoroquinolin-3-yl)pyrrolidine-1-carboxylate;tert-butyl 2-(7-fluoro-2-pyridin-2-ylquinolin-3-yl)pyrrolidine-1-carboxylate;6-chloro-7H-purine;7-fluoro-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]-2-pyridin-2-ylquinoline;7-fluoro-2-pyridin-2-yl-3-pyrrolidin-2-ylquinoline;tributyl(pyridin-2-yl)stannane?
The canonical SMILES for tert-butyl 2-(2-chloro-7-fluoroquinolin-3-yl)pyrrolidine-1-carboxylate;tert-butyl 2-(7-fluoro-2-pyridin-2-ylquinolin-3-yl)pyrrolidine-1-carboxylate;6-chloro-7H-purine;7-fluoro-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]-2-pyridin-2-ylquinoline;7-fluoro-2-pyridin-2-yl-3-pyrrolidin-2-ylquinoline;tributyl(pyridin-2-yl)stannane is CC(C)(C)OC(=O)N1CCCC1c1cc2ccc(F)cc2nc1-c1ccccn1.CC(C)(C)OC(=O)N1CCCC1c1cc2ccc(F)cc2nc1Cl.CCCC[Sn](CCCC)(CCCC)c1ccccn1.Clc1ncnc2nc[nH]c12.Fc1ccc2cc(C3CCCN3)c(-c3ccccn3)nc2c1.Fc1ccc2cc(C3CCCN3c3ncnc4nc[nH]c34)c(-c3ccccn3)nc2c1.
What is the InChIKey of tert-butyl 2-(2-chloro-7-fluoroquinolin-3-yl)pyrrolidine-1-carboxylate;tert-butyl 2-(7-fluoro-2-pyridin-2-ylquinolin-3-yl)pyrrolidine-1-carboxylate;6-chloro-7H-purine;7-fluoro-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]-2-pyridin-2-ylquinoline;7-fluoro-2-pyridin-2-yl-3-pyrrolidin-2-ylquinoline;tributyl(pyridin-2-yl)stannane?
The InChIKey is RKFWDZKIPNYHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN7.C23H24FN3O2.C18H20ClFN2O2.C18H16FN3.C5H3ClN4.C5H4N.3C4H9.Sn/c24-15-7-6-14-10-16(20(30-18(14)11-15)17-4-1-2-8-25-17)19-5-3-9-31(19)23-21-22(27-12-26-21)28-13-29-23;1-23(2,3)29-22(28)27-12-6-8-20(27)17-13-15-9-10-16(24)14-19(15)26-21(17)18-7-4-5-11-25-18;1-18(2,3)24-17(23)22-8-4-5-15(22)13-9-11-6-7-12(20)10-14(11)21-16(13)19;19-13-7-6-12-10-14(15-5-3-9-20-15)18(22-17(12)11-13)16-4-1-2-8-21-16;6-4-3-5(9-1-7-3)10-2-8-4;1-2-4-6-5-3-1;3*1-3-4-2;/h1-2,4,6-8,10-13,19H,3,5,9H2,(H,26,27,28,29);4-5,7,9-11,13-14,20H,6,8,12H2,1-3H3;6-7,9-10,15H,4-5,8H2,1-3H3;1-2,4,6-8,10-11,15,20H,3,5,9H2;1-2H,(H,7,8,9,10);1-4H;3*1,3-4H2,2H3;.
What are the key properties of tert-butyl 2-(2-chloro-7-fluoroquinolin-3-yl)pyrrolidine-1-carboxylate;tert-butyl 2-(7-fluoro-2-pyridin-2-ylquinolin-3-yl)pyrrolidine-1-carboxylate;6-chloro-7H-purine;7-fluoro-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]-2-pyridin-2-ylquinoline;7-fluoro-2-pyridin-2-yl-3-pyrrolidin-2-ylquinoline;tributyl(pyridin-2-yl)stannane?
tert-butyl 2-(2-chloro-7-fluoroquinolin-3-yl)pyrrolidine-1-carboxylate;tert-butyl 2-(7-fluoro-2-pyridin-2-ylquinolin-3-yl)pyrrolidine-1-carboxylate;6-chloro-7H-purine;7-fluoro-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]-2-pyridin-2-ylquinoline;7-fluoro-2-pyridin-2-yl-3-pyrrolidin-2-ylquinoline;tributyl(pyridin-2-yl)stannane has a molecular weight of 1971.78 g/mol, XLogP of 25.06, 18 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-chloro-7-fluoroquinolin-3-yl)pyrrolidine-1-carboxylate;tert-butyl 2-(7-fluoro-2-pyridin-2-ylquinolin-3-yl)pyrrolidine-1-carboxylate;6-chloro-7H-purine;7-fluoro-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]-2-pyridin-2-ylquinoline;7-fluoro-2-pyridin-2-yl-3-pyrrolidin-2-ylquinoline;tributyl(pyridin-2-yl)stannane is sourced from PubChem (CID 160649568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).