bis(2-(4-chlorophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone);2-(4-chlorophenyl)-1-[(2R)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-cyclopropylphenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-fluorophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]-2-(4-methylphenyl)ethanone

C154H146Cl3F7N6O6 — CID 161373959

IUPACbis(2-(4-chlorophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone);2-(4-chlorophenyl)-1-[(2R)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-cyclopropylphenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-fluorophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)[C@H]2CC23CCC(c2ccnc4ccc(F)cc24)CC3)cc1.O=C(Cc1ccc(C2CC2)cc1)[C@H]1CC12CCC(c1ccnc3ccc(F)cc13)CC2.O=C(Cc1ccc(Cl)cc1)[C@@H]1CC12CCC(c1ccnc3ccc(F)cc13)CC2.O=C(Cc1ccc(Cl)cc1)[C@H]1CC12CCC(c1ccnc3ccc(F)cc13)CC2.O=C(Cc1ccc(Cl)cc1)[C@H]1CC12CCC(c1ccnc3ccc(F)cc13)CC2.O=C(Cc1ccc(F)cc1)[C@H]1CC12CCC(c1ccnc3ccc(F)cc13)CC2
InChIInChI=1S/C28H28FNO.C26H26FNO.3C25H23ClFNO.C25H23F2NO/c29-22-7-8-26-24(16-22)23(11-14-30-26)21-9-12-28(13-10-21)17-25(28)27(31)15-18-1-3-19(4-2-18)20-5-6-20;1-17-2-4-18(5-3-17)14-25(29)23-16-26(23)11-8-19(9-12-26)21-10-13-28-24-7-6-20(27)15-22(21)24;4*26-18-3-1-16(2-4-18)13-24(29)22-15-25(22)10-7-17(8-11-25)20-9-12-28-23-6-5-19(27)14-21(20)23/h1-4,7-8,11,14,16,20-21,25H,5-6,9-10,12-13,15,17H2;2-7,10,13,15,19,23H,8-9,11-12,14,16H2,1H3;4*1-6,9,12,14,17,22H,7-8,10-11,13,15H2/t21?,25-,28?;19?,23-,26?;4*17?,22-,25?/m111101/s1
InChIKeyVQVIJMHWBILMTR-SNOUHUTHSA-N
MW2416.24 g/mol
LogP38.38
Rot. Bonds25

About bis(2-(4-chlorophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone);2-(4-chlorophenyl)-1-[(2R)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-cyclopropylphenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-fluorophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]-2-(4-methylphenyl)ethanone

bis(2-(4-chlorophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone);2-(4-chlorophenyl)-1-[(2R)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-cyclopropylphenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-fluorophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]-2-(4-methylphenyl)ethanone (PubChem CID 161373959) has the molecular formula C154H146Cl3F7N6O6 and a molecular weight of 2416.24 g/mol. Its IUPAC name is bis(2-(4-chlorophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone);2-(4-chlorophenyl)-1-[(2R)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-cyclopropylphenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-fluorophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Namebis(2-(4-chlorophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone);2-(4-chlorophenyl)-1-[(2R)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-cyclopropylphenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-fluorophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]-2-(4-methylphenyl)ethanone
PubChem CID161373959
Molecular FormulaC154H146Cl3F7N6O6
Molecular Weight2416.24 g/mol
Exact Mass2413.03
IUPAC Namebis(2-(4-chlorophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone);2-(4-chlorophenyl)-1-[(2R)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-cyclopropylphenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-fluorophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)[C@H]2CC23CCC(c2ccnc4ccc(F)cc24)CC3)cc1.O=C(Cc1ccc(C2CC2)cc1)[C@H]1CC12CCC(c1ccnc3ccc(F)cc13)CC2.O=C(Cc1ccc(Cl)cc1)[C@@H]1CC12CCC(c1ccnc3ccc(F)cc13)CC2.O=C(Cc1ccc(Cl)cc1)[C@H]1CC12CCC(c1ccnc3ccc(F)cc13)CC2.O=C(Cc1ccc(Cl)cc1)[C@H]1CC12CCC(c1ccnc3ccc(F)cc13)CC2.O=C(Cc1ccc(F)cc1)[C@H]1CC12CCC(c1ccnc3ccc(F)cc13)CC2
InChIInChI=1S/C28H28FNO.C26H26FNO.3C25H23ClFNO.C25H23F2NO/c29-22-7-8-26-24(16-22)23(11-14-30-26)21-9-12-28(13-10-21)17-25(28)27(31)15-18-1-3-19(4-2-18)20-5-6-20;1-17-2-4-18(5-3-17)14-25(29)23-16-26(23)11-8-19(9-12-26)21-10-13-28-24-7-6-20(27)15-22(21)24;4*26-18-3-1-16(2-4-18)13-24(29)22-15-25(22)10-7-17(8-11-25)20-9-12-28-23-6-5-19(27)14-21(20)23/h1-4,7-8,11,14,16,20-21,25H,5-6,9-10,12-13,15,17H2;2-7,10,13,15,19,23H,8-9,11-12,14,16H2,1H3;4*1-6,9,12,14,17,22H,7-8,10-11,13,15H2/t21?,25-,28?;19?,23-,26?;4*17?,22-,25?/m111101/s1
InChIKeyVQVIJMHWBILMTR-SNOUHUTHSA-N
XLogP38.38
TPSA179.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds25
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002416.24
LogP ≤ 538.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze bis(2-(4-chlorophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone);2-(4-chlorophenyl)-1-[(2R)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-cyclopropylphenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-fluorophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]-2-(4-methylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-Chlorophenyl)-3-[6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]propan-2-one
CID 148792043
2-(4-Chloro-3-fluorophenyl)-1-[6-(6-fluoro-7-methylquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone
CID 157188110
2-(4-Chlorophenyl)-1-[6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone
CID 157366859
2-(6-chloro-3-pyridinyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone
CID 157385283
2-(5-chloro-2-pyridinyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone
CID 157385284
3-(4-chlorophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]propan-1-one
CID 157385287
2-(4-Chlorophenyl)-1-[6-(6-fluoro-7-methylquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone
CID 157385931
2-(4-chlorophenyl)-1-[(2R)-6-(6-fluoro-7-methylquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone
CID 157407634
2-(4-chlorophenyl)-1-[(2S)-6-(6-fluoro-7-methylquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone
CID 157407635
2-(4-chlorophenyl)-1-[(2R)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone
CID 157639083
7-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;7-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;1-(5,6,7,8-tetrahydroquinolin-2-yl)-7-[3-(trifluoromethyl)phenyl]nonan-5-one;(7R)-1-(5,6,7,8-tetrahydroquinolin-2-yl)-7-[3-(trifluoromethyl)phenyl]nonan-5-one
CID 158036096
2-(4-Chloro-3-fluorophenyl)-1-[6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone
CID 158185840

Frequently Asked Questions

What is the IUPAC name of bis(2-(4-chlorophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone);2-(4-chlorophenyl)-1-[(2R)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-cyclopropylphenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-fluorophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]-2-(4-methylphenyl)ethanone?
The IUPAC name of bis(2-(4-chlorophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone);2-(4-chlorophenyl)-1-[(2R)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-cyclopropylphenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-fluorophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]-2-(4-methylphenyl)ethanone (CID 161373959) is bis(2-(4-chlorophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone);2-(4-chlorophenyl)-1-[(2R)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-cyclopropylphenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-fluorophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]-2-(4-methylphenyl)ethanone.
What is the SMILES notation for bis(2-(4-chlorophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone);2-(4-chlorophenyl)-1-[(2R)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-cyclopropylphenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-fluorophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]-2-(4-methylphenyl)ethanone?
The canonical SMILES for bis(2-(4-chlorophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone);2-(4-chlorophenyl)-1-[(2R)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-cyclopropylphenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-fluorophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]-2-(4-methylphenyl)ethanone is Cc1ccc(CC(=O)[C@H]2CC23CCC(c2ccnc4ccc(F)cc24)CC3)cc1.O=C(Cc1ccc(C2CC2)cc1)[C@H]1CC12CCC(c1ccnc3ccc(F)cc13)CC2.O=C(Cc1ccc(Cl)cc1)[C@@H]1CC12CCC(c1ccnc3ccc(F)cc13)CC2.O=C(Cc1ccc(Cl)cc1)[C@H]1CC12CCC(c1ccnc3ccc(F)cc13)CC2.O=C(Cc1ccc(Cl)cc1)[C@H]1CC12CCC(c1ccnc3ccc(F)cc13)CC2.O=C(Cc1ccc(F)cc1)[C@H]1CC12CCC(c1ccnc3ccc(F)cc13)CC2.
What is the InChIKey of bis(2-(4-chlorophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone);2-(4-chlorophenyl)-1-[(2R)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-cyclopropylphenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-fluorophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]-2-(4-methylphenyl)ethanone?
The InChIKey is VQVIJMHWBILMTR-SNOUHUTHSA-N. The full InChI is InChI=1S/C28H28FNO.C26H26FNO.3C25H23ClFNO.C25H23F2NO/c29-22-7-8-26-24(16-22)23(11-14-30-26)21-9-12-28(13-10-21)17-25(28)27(31)15-18-1-3-19(4-2-18)20-5-6-20;1-17-2-4-18(5-3-17)14-25(29)23-16-26(23)11-8-19(9-12-26)21-10-13-28-24-7-6-20(27)15-22(21)24;4*26-18-3-1-16(2-4-18)13-24(29)22-15-25(22)10-7-17(8-11-25)20-9-12-28-23-6-5-19(27)14-21(20)23/h1-4,7-8,11,14,16,20-21,25H,5-6,9-10,12-13,15,17H2;2-7,10,13,15,19,23H,8-9,11-12,14,16H2,1H3;4*1-6,9,12,14,17,22H,7-8,10-11,13,15H2/t21?,25-,28?;19?,23-,26?;4*17?,22-,25?/m111101/s1.
What are the key properties of bis(2-(4-chlorophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone);2-(4-chlorophenyl)-1-[(2R)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-cyclopropylphenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-fluorophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]-2-(4-methylphenyl)ethanone?
bis(2-(4-chlorophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone);2-(4-chlorophenyl)-1-[(2R)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-cyclopropylphenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-fluorophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]-2-(4-methylphenyl)ethanone has a molecular weight of 2416.24 g/mol, XLogP of 38.38, 25 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(4-chlorophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone);2-(4-chlorophenyl)-1-[(2R)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-cyclopropylphenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-fluorophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 161373959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).