tert-butyl N-[6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octan-2-yl]carbamate;4-chlorobenzoic acid;4-chloro-N-[6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octan-2-yl]benzamide;6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octan-2-amine;6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid

C84H87Cl2F4N11O7 — CID 158197556

IUPACtert-butyl N-[6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octan-2-yl]carbamate;4-chlorobenzoic acid;4-chloro-N-[6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octan-2-yl]benzamide;6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octan-2-amine;6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1CC12CCN(c1ccnc3ccc(F)cc13)CC2.NC1CC12CCN(c1ccnc3ccc(F)cc13)CC2.O=C(NC1CC12CCN(c1ccnc3ccc(F)cc13)CC2)c1ccc(Cl)cc1.O=C(O)C1CC12CCN(c1ccnc3ccc(F)cc13)CC2.O=C(O)c1ccc(Cl)cc1
InChIInChI=1S/C23H21ClFN3O.C21H26FN3O2.C17H17FN2O2.C16H18FN3.C7H5ClO2/c24-16-3-1-15(2-4-16)22(29)27-21-14-23(21)8-11-28(12-9-23)20-7-10-26-19-6-5-17(25)13-18(19)20;1-20(2,3)27-19(26)24-18-13-21(18)7-10-25(11-8-21)17-6-9-23-16-5-4-14(22)12-15(16)17;18-11-1-2-14-12(9-11)15(3-6-19-14)20-7-4-17(5-8-20)10-13(17)16(21)22;17-11-1-2-13-12(9-11)14(3-6-19-13)20-7-4-16(5-8-20)10-15(16)18;8-6-3-1-5(2-4-6)7(9)10/h1-7,10,13,21H,8-9,11-12,14H2,(H,27,29);4-6,9,12,18H,7-8,10-11,13H2,1-3H3,(H,24,26);1-3,6,9,13H,4-5,7-8,10H2,(H,21,22);1-3,6,9,15H,4-5,7-8,10,18H2;1-4H,(H,9,10)
InChIKeyGANFVUGSLRRCIZ-UHFFFAOYSA-N
MW1509.59 g/mol
LogP16.87
Rot. Bonds9

About tert-butyl N-[6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octan-2-yl]carbamate;4-chlorobenzoic acid;4-chloro-N-[6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octan-2-yl]benzamide;6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octan-2-amine;6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid

tert-butyl N-[6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octan-2-yl]carbamate;4-chlorobenzoic acid;4-chloro-N-[6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octan-2-yl]benzamide;6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octan-2-amine;6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 158197556) has the molecular formula C84H87Cl2F4N11O7 and a molecular weight of 1509.59 g/mol. Its IUPAC name is tert-butyl N-[6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octan-2-yl]carbamate;4-chlorobenzoic acid;4-chloro-N-[6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octan-2-yl]benzamide;6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octan-2-amine;6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Nametert-butyl N-[6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octan-2-yl]carbamate;4-chlorobenzoic acid;4-chloro-N-[6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octan-2-yl]benzamide;6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octan-2-amine;6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID158197556
Molecular FormulaC84H87Cl2F4N11O7
Molecular Weight1509.59 g/mol
Exact Mass1507.61
IUPAC Nametert-butyl N-[6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octan-2-yl]carbamate;4-chlorobenzoic acid;4-chloro-N-[6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octan-2-yl]benzamide;6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octan-2-amine;6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1CC12CCN(c1ccnc3ccc(F)cc13)CC2.NC1CC12CCN(c1ccnc3ccc(F)cc13)CC2.O=C(NC1CC12CCN(c1ccnc3ccc(F)cc13)CC2)c1ccc(Cl)cc1.O=C(O)C1CC12CCN(c1ccnc3ccc(F)cc13)CC2.O=C(O)c1ccc(Cl)cc1
InChIInChI=1S/C23H21ClFN3O.C21H26FN3O2.C17H17FN2O2.C16H18FN3.C7H5ClO2/c24-16-3-1-15(2-4-16)22(29)27-21-14-23(21)8-11-28(12-9-23)20-7-10-26-19-6-5-17(25)13-18(19)20;1-20(2,3)27-19(26)24-18-13-21(18)7-10-25(11-8-21)17-6-9-23-16-5-4-14(22)12-15(16)17;18-11-1-2-14-12(9-11)15(3-6-19-14)20-7-4-17(5-8-20)10-13(17)16(21)22;17-11-1-2-13-12(9-11)14(3-6-19-13)20-7-4-16(5-8-20)10-15(16)18;8-6-3-1-5(2-4-6)7(9)10/h1-7,10,13,21H,8-9,11-12,14H2,(H,27,29);4-6,9,12,18H,7-8,10-11,13H2,1-3H3,(H,24,26);1-3,6,9,13H,4-5,7-8,10H2,(H,21,22);1-3,6,9,15H,4-5,7-8,10,18H2;1-4H,(H,9,10)
InChIKeyGANFVUGSLRRCIZ-UHFFFAOYSA-N
XLogP16.87
TPSA232.57 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001509.59
LogP ≤ 516.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Analyze tert-butyl N-[6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octan-2-yl]carbamate;4-chlorobenzoic acid;4-chloro-N-[6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octan-2-yl]benzamide;6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octan-2-amine;6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octan-2-yl]carbamate;4-chlorobenzoic acid;4-chloro-N-[6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octan-2-yl]benzamide;6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octan-2-amine;6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of tert-butyl N-[6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octan-2-yl]carbamate;4-chlorobenzoic acid;4-chloro-N-[6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octan-2-yl]benzamide;6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octan-2-amine;6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid (CID 158197556) is tert-butyl N-[6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octan-2-yl]carbamate;4-chlorobenzoic acid;4-chloro-N-[6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octan-2-yl]benzamide;6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octan-2-amine;6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for tert-butyl N-[6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octan-2-yl]carbamate;4-chlorobenzoic acid;4-chloro-N-[6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octan-2-yl]benzamide;6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octan-2-amine;6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for tert-butyl N-[6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octan-2-yl]carbamate;4-chlorobenzoic acid;4-chloro-N-[6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octan-2-yl]benzamide;6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octan-2-amine;6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid is CC(C)(C)OC(=O)NC1CC12CCN(c1ccnc3ccc(F)cc13)CC2.NC1CC12CCN(c1ccnc3ccc(F)cc13)CC2.O=C(NC1CC12CCN(c1ccnc3ccc(F)cc13)CC2)c1ccc(Cl)cc1.O=C(O)C1CC12CCN(c1ccnc3ccc(F)cc13)CC2.O=C(O)c1ccc(Cl)cc1.
What is the InChIKey of tert-butyl N-[6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octan-2-yl]carbamate;4-chlorobenzoic acid;4-chloro-N-[6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octan-2-yl]benzamide;6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octan-2-amine;6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is GANFVUGSLRRCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN3O.C21H26FN3O2.C17H17FN2O2.C16H18FN3.C7H5ClO2/c24-16-3-1-15(2-4-16)22(29)27-21-14-23(21)8-11-28(12-9-23)20-7-10-26-19-6-5-17(25)13-18(19)20;1-20(2,3)27-19(26)24-18-13-21(18)7-10-25(11-8-21)17-6-9-23-16-5-4-14(22)12-15(16)17;18-11-1-2-14-12(9-11)15(3-6-19-14)20-7-4-17(5-8-20)10-13(17)16(21)22;17-11-1-2-13-12(9-11)14(3-6-19-13)20-7-4-16(5-8-20)10-15(16)18;8-6-3-1-5(2-4-6)7(9)10/h1-7,10,13,21H,8-9,11-12,14H2,(H,27,29);4-6,9,12,18H,7-8,10-11,13H2,1-3H3,(H,24,26);1-3,6,9,13H,4-5,7-8,10H2,(H,21,22);1-3,6,9,15H,4-5,7-8,10,18H2;1-4H,(H,9,10).
What are the key properties of tert-butyl N-[6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octan-2-yl]carbamate;4-chlorobenzoic acid;4-chloro-N-[6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octan-2-yl]benzamide;6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octan-2-amine;6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid?
tert-butyl N-[6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octan-2-yl]carbamate;4-chlorobenzoic acid;4-chloro-N-[6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octan-2-yl]benzamide;6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octan-2-amine;6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 1509.59 g/mol, XLogP of 16.87, 9 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octan-2-yl]carbamate;4-chlorobenzoic acid;4-chloro-N-[6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octan-2-yl]benzamide;6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octan-2-amine;6-(6-fluoroquinolin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 158197556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).