7-azaspiro[3.5]nonan-2-one;N-benzyl-7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-amine;4-bromo-6-fluoroquinoline;tert-butyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate;4-chlorobenzoic acid;1-(4-chlorophenyl)-2-[7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-yl]ethanone;7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-amine;7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-one;dihydrochloride

C120H133BrCl4F5N13O8 — CID 159039826

IUPAC7-azaspiro[3.5]nonan-2-one;N-benzyl-7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-amine;4-bromo-6-fluoroquinoline;tert-butyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate;4-chlorobenzoic acid;1-(4-chlorophenyl)-2-[7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-yl]ethanone;7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-amine;7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-one;dihydrochloride
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)C2.Cl.Cl.Fc1ccc2nccc(Br)c2c1.Fc1ccc2nccc(N3CCC4(CC3)CC(NCc3ccccc3)C4)c2c1.NC1CC2(CCN(c3ccnc4ccc(F)cc34)CC2)C1.O=C(CC1CC2(CCN(c3ccnc4ccc(F)cc34)CC2)C1)c1ccc(Cl)cc1.O=C(O)c1ccc(Cl)cc1.O=C1CC2(CCN(c3ccnc4ccc(F)cc34)CC2)C1.O=C1CC2(CCNCC2)C1
InChIInChI=1S/C25H24ClFN2O.C24H26FN3.C17H20FN3.C17H17FN2O.C13H21NO3.C9H5BrFN.C8H13NO.C7H5ClO2.2ClH/c26-19-3-1-18(2-4-19)24(30)13-17-15-25(16-17)8-11-29(12-9-25)23-7-10-28-22-6-5-20(27)14-21(22)23;25-19-6-7-22-21(14-19)23(8-11-26-22)28-12-9-24(10-13-28)15-20(16-24)27-17-18-4-2-1-3-5-18;18-12-1-2-15-14(9-12)16(3-6-20-15)21-7-4-17(5-8-21)10-13(19)11-17;18-12-1-2-15-14(9-12)16(3-6-19-15)20-7-4-17(5-8-20)10-13(21)11-17;1-12(2,3)17-11(16)14-6-4-13(5-7-14)8-10(15)9-13;10-8-3-4-12-9-2-1-6(11)5-7(8)9;10-7-5-8(6-7)1-3-9-4-2-8;8-6-3-1-5(2-4-6)7(9)10;;/h1-7,10,14,17H,8-9,11-13,15-16H2;1-8,11,14,20,27H,9-10,12-13,15-17H2;1-3,6,9,13H,4-5,7-8,10-11,19H2;1-3,6,9H,4-5,7-8,10-11H2;4-9H2,1-3H3;1-5H;9H,1-6H2;1-4H,(H,9,10);2*1H
InChIKeyLXALWESXVJTYIX-UHFFFAOYSA-N
MW2202.17 g/mol
LogP26.72
Rot. Bonds11

About 7-azaspiro[3.5]nonan-2-one;N-benzyl-7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-amine;4-bromo-6-fluoroquinoline;tert-butyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate;4-chlorobenzoic acid;1-(4-chlorophenyl)-2-[7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-yl]ethanone;7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-amine;7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-one;dihydrochloride

7-azaspiro[3.5]nonan-2-one;N-benzyl-7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-amine;4-bromo-6-fluoroquinoline;tert-butyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate;4-chlorobenzoic acid;1-(4-chlorophenyl)-2-[7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-yl]ethanone;7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-amine;7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-one;dihydrochloride (PubChem CID 159039826) has the molecular formula C120H133BrCl4F5N13O8 and a molecular weight of 2202.17 g/mol. Its IUPAC name is 7-azaspiro[3.5]nonan-2-one;N-benzyl-7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-amine;4-bromo-6-fluoroquinoline;tert-butyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate;4-chlorobenzoic acid;1-(4-chlorophenyl)-2-[7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-yl]ethanone;7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-amine;7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-one;dihydrochloride.

Molecular Properties

Compound Name7-azaspiro[3.5]nonan-2-one;N-benzyl-7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-amine;4-bromo-6-fluoroquinoline;tert-butyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate;4-chlorobenzoic acid;1-(4-chlorophenyl)-2-[7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-yl]ethanone;7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-amine;7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-one;dihydrochloride
PubChem CID159039826
Molecular FormulaC120H133BrCl4F5N13O8
Molecular Weight2202.17 g/mol
Exact Mass2197.83
IUPAC Name7-azaspiro[3.5]nonan-2-one;N-benzyl-7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-amine;4-bromo-6-fluoroquinoline;tert-butyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate;4-chlorobenzoic acid;1-(4-chlorophenyl)-2-[7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-yl]ethanone;7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-amine;7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-one;dihydrochloride
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)C2.Cl.Cl.Fc1ccc2nccc(Br)c2c1.Fc1ccc2nccc(N3CCC4(CC3)CC(NCc3ccccc3)C4)c2c1.NC1CC2(CCN(c3ccnc4ccc(F)cc34)CC2)C1.O=C(CC1CC2(CCN(c3ccnc4ccc(F)cc34)CC2)C1)c1ccc(Cl)cc1.O=C(O)c1ccc(Cl)cc1.O=C1CC2(CCN(c3ccnc4ccc(F)cc34)CC2)C1.O=C1CC2(CCNCC2)C1
InChIInChI=1S/C25H24ClFN2O.C24H26FN3.C17H20FN3.C17H17FN2O.C13H21NO3.C9H5BrFN.C8H13NO.C7H5ClO2.2ClH/c26-19-3-1-18(2-4-19)24(30)13-17-15-25(16-17)8-11-29(12-9-25)23-7-10-28-22-6-5-20(27)14-21(22)23;25-19-6-7-22-21(14-19)23(8-11-26-22)28-12-9-24(10-13-28)15-20(16-24)27-17-18-4-2-1-3-5-18;18-12-1-2-15-14(9-12)16(3-6-20-15)21-7-4-17(5-8-21)10-13(19)11-17;18-12-1-2-15-14(9-12)16(3-6-19-15)20-7-4-17(5-8-20)10-13(21)11-17;1-12(2,3)17-11(16)14-6-4-13(5-7-14)8-10(15)9-13;10-8-3-4-12-9-2-1-6(11)5-7(8)9;10-7-5-8(6-7)1-3-9-4-2-8;8-6-3-1-5(2-4-6)7(9)10;;/h1-7,10,14,17H,8-9,11-13,15-16H2;1-8,11,14,20,27H,9-10,12-13,15-17H2;1-3,6,9,13H,4-5,7-8,10-11,19H2;1-3,6,9H,4-5,7-8,10-11H2;4-9H2,1-3H3;1-5H;9H,1-6H2;1-4H,(H,9,10);2*1H
InChIKeyLXALWESXVJTYIX-UHFFFAOYSA-N
XLogP26.72
TPSA262.61 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds11
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002202.17
LogP ≤ 526.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Analyze 7-azaspiro[3.5]nonan-2-one;N-benzyl-7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-amine;4-bromo-6-fluoroquinoline;tert-butyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate;4-chlorobenzoic acid;1-(4-chlorophenyl)-2-[7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-yl]ethanone;7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-amine;7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-one;dihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-azaspiro[3.5]nonan-2-one;N-benzyl-7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-amine;4-bromo-6-fluoroquinoline;tert-butyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate;4-chlorobenzoic acid;1-(4-chlorophenyl)-2-[7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-yl]ethanone;7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-amine;7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-one;dihydrochloride?
The IUPAC name of 7-azaspiro[3.5]nonan-2-one;N-benzyl-7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-amine;4-bromo-6-fluoroquinoline;tert-butyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate;4-chlorobenzoic acid;1-(4-chlorophenyl)-2-[7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-yl]ethanone;7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-amine;7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-one;dihydrochloride (CID 159039826) is 7-azaspiro[3.5]nonan-2-one;N-benzyl-7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-amine;4-bromo-6-fluoroquinoline;tert-butyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate;4-chlorobenzoic acid;1-(4-chlorophenyl)-2-[7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-yl]ethanone;7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-amine;7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-one;dihydrochloride.
What is the SMILES notation for 7-azaspiro[3.5]nonan-2-one;N-benzyl-7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-amine;4-bromo-6-fluoroquinoline;tert-butyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate;4-chlorobenzoic acid;1-(4-chlorophenyl)-2-[7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-yl]ethanone;7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-amine;7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-one;dihydrochloride?
The canonical SMILES for 7-azaspiro[3.5]nonan-2-one;N-benzyl-7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-amine;4-bromo-6-fluoroquinoline;tert-butyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate;4-chlorobenzoic acid;1-(4-chlorophenyl)-2-[7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-yl]ethanone;7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-amine;7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-one;dihydrochloride is CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)C2.Cl.Cl.Fc1ccc2nccc(Br)c2c1.Fc1ccc2nccc(N3CCC4(CC3)CC(NCc3ccccc3)C4)c2c1.NC1CC2(CCN(c3ccnc4ccc(F)cc34)CC2)C1.O=C(CC1CC2(CCN(c3ccnc4ccc(F)cc34)CC2)C1)c1ccc(Cl)cc1.O=C(O)c1ccc(Cl)cc1.O=C1CC2(CCN(c3ccnc4ccc(F)cc34)CC2)C1.O=C1CC2(CCNCC2)C1.
What is the InChIKey of 7-azaspiro[3.5]nonan-2-one;N-benzyl-7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-amine;4-bromo-6-fluoroquinoline;tert-butyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate;4-chlorobenzoic acid;1-(4-chlorophenyl)-2-[7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-yl]ethanone;7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-amine;7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-one;dihydrochloride?
The InChIKey is LXALWESXVJTYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClFN2O.C24H26FN3.C17H20FN3.C17H17FN2O.C13H21NO3.C9H5BrFN.C8H13NO.C7H5ClO2.2ClH/c26-19-3-1-18(2-4-19)24(30)13-17-15-25(16-17)8-11-29(12-9-25)23-7-10-28-22-6-5-20(27)14-21(22)23;25-19-6-7-22-21(14-19)23(8-11-26-22)28-12-9-24(10-13-28)15-20(16-24)27-17-18-4-2-1-3-5-18;18-12-1-2-15-14(9-12)16(3-6-20-15)21-7-4-17(5-8-21)10-13(19)11-17;18-12-1-2-15-14(9-12)16(3-6-19-15)20-7-4-17(5-8-20)10-13(21)11-17;1-12(2,3)17-11(16)14-6-4-13(5-7-14)8-10(15)9-13;10-8-3-4-12-9-2-1-6(11)5-7(8)9;10-7-5-8(6-7)1-3-9-4-2-8;8-6-3-1-5(2-4-6)7(9)10;;/h1-7,10,14,17H,8-9,11-13,15-16H2;1-8,11,14,20,27H,9-10,12-13,15-17H2;1-3,6,9,13H,4-5,7-8,10-11,19H2;1-3,6,9H,4-5,7-8,10-11H2;4-9H2,1-3H3;1-5H;9H,1-6H2;1-4H,(H,9,10);2*1H.
What are the key properties of 7-azaspiro[3.5]nonan-2-one;N-benzyl-7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-amine;4-bromo-6-fluoroquinoline;tert-butyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate;4-chlorobenzoic acid;1-(4-chlorophenyl)-2-[7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-yl]ethanone;7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-amine;7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-one;dihydrochloride?
7-azaspiro[3.5]nonan-2-one;N-benzyl-7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-amine;4-bromo-6-fluoroquinoline;tert-butyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate;4-chlorobenzoic acid;1-(4-chlorophenyl)-2-[7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-yl]ethanone;7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-amine;7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-one;dihydrochloride has a molecular weight of 2202.17 g/mol, XLogP of 26.72, 11 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azaspiro[3.5]nonan-2-one;N-benzyl-7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-amine;4-bromo-6-fluoroquinoline;tert-butyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate;4-chlorobenzoic acid;1-(4-chlorophenyl)-2-[7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-yl]ethanone;7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-amine;7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonan-2-one;dihydrochloride is sourced from PubChem (CID 159039826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).