2-(4-bromophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-chlorophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-chlorophenyl)-1-[(2S)-6-(6-methoxy-7-methylquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;bis(2-(4-chlorophenyl)-1-[(2S)-6-(1,6-naphthyridin-4-yl)spiro[2.5]octan-2-yl]ethanone)

C125H120BrCl4F2N7O6 — CID 159287982

IUPAC2-(4-bromophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-chlorophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-chlorophenyl)-1-[(2S)-6-(6-methoxy-7-methylquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;bis(2-(4-chlorophenyl)-1-[(2S)-6-(1,6-naphthyridin-4-yl)spiro[2.5]octan-2-yl]ethanone)
SMILESCOc1cc2c(C3CCC4(CC3)C[C@@H]4C(=O)Cc3ccc(Cl)cc3)ccnc2cc1C.O=C(Cc1ccc(Br)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(c1ccnc3ccncc13)CC2.O=C(Cc1ccc(Cl)cc1)[C@H]1CC12CCC(c1ccnc3ccncc13)CC2
InChIInChI=1S/C27H28ClNO2.C25H23BrFNO.C25H23ClFNO.2C24H23ClN2O/c1-17-13-24-22(15-26(17)31-2)21(9-12-29-24)19-7-10-27(11-8-19)16-23(27)25(30)14-18-3-5-20(28)6-4-18;2*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;2*25-18-3-1-16(2-4-18)13-23(28)21-14-24(21)9-5-17(6-10-24)19-7-12-27-22-8-11-26-15-20(19)22/h3-6,9,12-13,15,19,23H,7-8,10-11,14,16H2,1-2H3;2*1-6,9,12,14,17,22H,7-8,10-11,13,15H2;2*1-4,7-8,11-12,15,17,21H,5-6,9-10,13-14H2/t19?,23-,27?;2*17?,22-,25?;2*17?,21-,24?/m11111/s1
InChIKeyKZTFLJUMXGAFEG-KSZKOFBYSA-N
MW2076.09 g/mol
LogP31.31
Rot. Bonds21

About 2-(4-bromophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-chlorophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-chlorophenyl)-1-[(2S)-6-(6-methoxy-7-methylquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;bis(2-(4-chlorophenyl)-1-[(2S)-6-(1,6-naphthyridin-4-yl)spiro[2.5]octan-2-yl]ethanone)

2-(4-bromophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-chlorophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-chlorophenyl)-1-[(2S)-6-(6-methoxy-7-methylquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;bis(2-(4-chlorophenyl)-1-[(2S)-6-(1,6-naphthyridin-4-yl)spiro[2.5]octan-2-yl]ethanone) (PubChem CID 159287982) has the molecular formula C125H120BrCl4F2N7O6 and a molecular weight of 2076.09 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-chlorophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-chlorophenyl)-1-[(2S)-6-(6-methoxy-7-methylquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;bis(2-(4-chlorophenyl)-1-[(2S)-6-(1,6-naphthyridin-4-yl)spiro[2.5]octan-2-yl]ethanone).

Molecular Properties

Compound Name2-(4-bromophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-chlorophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-chlorophenyl)-1-[(2S)-6-(6-methoxy-7-methylquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;bis(2-(4-chlorophenyl)-1-[(2S)-6-(1,6-naphthyridin-4-yl)spiro[2.5]octan-2-yl]ethanone)
PubChem CID159287982
Molecular FormulaC125H120BrCl4F2N7O6
Molecular Weight2076.09 g/mol
Exact Mass2071.72
IUPAC Name2-(4-bromophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-chlorophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-chlorophenyl)-1-[(2S)-6-(6-methoxy-7-methylquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;bis(2-(4-chlorophenyl)-1-[(2S)-6-(1,6-naphthyridin-4-yl)spiro[2.5]octan-2-yl]ethanone)
SMILESCOc1cc2c(C3CCC4(CC3)C[C@@H]4C(=O)Cc3ccc(Cl)cc3)ccnc2cc1C.O=C(Cc1ccc(Br)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(c1ccnc3ccncc13)CC2.O=C(Cc1ccc(Cl)cc1)[C@H]1CC12CCC(c1ccnc3ccncc13)CC2
InChIInChI=1S/C27H28ClNO2.C25H23BrFNO.C25H23ClFNO.2C24H23ClN2O/c1-17-13-24-22(15-26(17)31-2)21(9-12-29-24)19-7-10-27(11-8-19)16-23(27)25(30)14-18-3-5-20(28)6-4-18;2*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;2*25-18-3-1-16(2-4-18)13-23(28)21-14-24(21)9-5-17(6-10-24)19-7-12-27-22-8-11-26-15-20(19)22/h3-6,9,12-13,15,19,23H,7-8,10-11,14,16H2,1-2H3;2*1-6,9,12,14,17,22H,7-8,10-11,13,15H2;2*1-4,7-8,11-12,15,17,21H,5-6,9-10,13-14H2/t19?,23-,27?;2*17?,22-,25?;2*17?,21-,24?/m11111/s1
InChIKeyKZTFLJUMXGAFEG-KSZKOFBYSA-N
XLogP31.31
TPSA184.81 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds21
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002076.09
LogP ≤ 531.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 2-(4-bromophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-chlorophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-chlorophenyl)-1-[(2S)-6-(6-methoxy-7-methylquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;bis(2-(4-chlorophenyl)-1-[(2S)-6-(1,6-naphthyridin-4-yl)spiro[2.5]octan-2-yl]ethanone) with MolForge

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Related Compounds

4-(5-Bromo-2-methylphenyl)-1-quinolin-8-ylpentan-2-one;8-[4-(2-chlorophenyl)pentyl]quinoline;4-(2-chlorophenyl)-1-quinolin-8-ylpentan-2-one;8-[3-fluoro-4-(2-methylphenyl)pentyl]quinoline;3-fluoro-4-(2-methylphenyl)-1-quinolin-8-ylpentan-2-one;8-[4-(2-methoxyphenyl)hexyl]quinoline;4-(2-methoxyphenyl)-1-quinolin-8-ylhexan-2-one;8-[3-methyl-4-(2-methylphenyl)pentyl]quinoline;bis(8-[4-(2-methylphenyl)pentyl]quinoline)
CID 157774976
4-[(2S)-2-[2-(4-chlorophenyl)acetyl]spiro[2.5]octan-6-yl]quinoline-6-carbonitrile;2-(4-chlorophenyl)-1-[(2S)-6-(6-chloroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-chlorophenyl)-1-[(2S)-6-(6-methoxy-7-methylquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;bis(2-(4-chlorophenyl)-1-[(2S)-6-(1,6-naphthyridin-4-yl)spiro[2.5]octan-2-yl]ethanone);2-(4-chlorophenyl)-1-[(2R)-6-(1,6-naphthyridin-4-yl)spiro[2.5]octan-2-yl]ethanone
CID 158812270
6-Bromo-4-cyclopropyl-3-propan-2-ylquinoline;6-bromo-4-methyl-3-propan-2-ylquinoline;6-chloro-4-cyclopropyl-3-propan-2-ylquinoline;6-chloro-4-(2-methoxypropan-2-yl)-3-propan-2-ylquinoline;6-chloro-4-methyl-3-propan-2-ylquinoline;4-chloro-3-propan-2-ylquinoline;4-cyclopropyl-6-fluoro-3-propan-2-ylquinoline;4-cyclopropyl-6-methoxy-3-propan-2-ylquinoline;6-fluoro-4-(2-methoxypropan-2-yl)-3-propan-2-ylquinoline;6-fluoro-4-methyl-3-propan-2-ylquinoline;4-fluoro-3-propan-2-ylquinoline
CID 159385167
6-Bromo-4-chloro-7-methylquinoline;4-chloro-6-methoxy-7-methylquinoline;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-(4-hydroxyphenyl)ethanone;1-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-[4-(6-methoxy-7-methylquinolin-4-yl)oxyphenyl]ethanone
CID 159540315
N-benzyl-3-(7-bromoquinolin-4-yl)oxybenzamide;3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;2-fluoro-3-(7-methylquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide;N-[(3-fluorophenyl)methyl]-3-(6-methoxy-7-methylquinolin-4-yl)oxy-2-methylbenzamide;3-(7-fluoroquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;2-methyl-N-[(2-methylphenyl)methyl]-3-quinolin-4-yloxybenzamide;2-methyl-N-(pyridin-3-ylmethyl)-3-quinolin-4-yloxybenzamide
CID 167536114

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-chlorophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-chlorophenyl)-1-[(2S)-6-(6-methoxy-7-methylquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;bis(2-(4-chlorophenyl)-1-[(2S)-6-(1,6-naphthyridin-4-yl)spiro[2.5]octan-2-yl]ethanone)?
The IUPAC name of 2-(4-bromophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-chlorophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-chlorophenyl)-1-[(2S)-6-(6-methoxy-7-methylquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;bis(2-(4-chlorophenyl)-1-[(2S)-6-(1,6-naphthyridin-4-yl)spiro[2.5]octan-2-yl]ethanone) (CID 159287982) is 2-(4-bromophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-chlorophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-chlorophenyl)-1-[(2S)-6-(6-methoxy-7-methylquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;bis(2-(4-chlorophenyl)-1-[(2S)-6-(1,6-naphthyridin-4-yl)spiro[2.5]octan-2-yl]ethanone).
What is the SMILES notation for 2-(4-bromophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-chlorophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-chlorophenyl)-1-[(2S)-6-(6-methoxy-7-methylquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;bis(2-(4-chlorophenyl)-1-[(2S)-6-(1,6-naphthyridin-4-yl)spiro[2.5]octan-2-yl]ethanone)?
The canonical SMILES for 2-(4-bromophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-chlorophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-chlorophenyl)-1-[(2S)-6-(6-methoxy-7-methylquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;bis(2-(4-chlorophenyl)-1-[(2S)-6-(1,6-naphthyridin-4-yl)spiro[2.5]octan-2-yl]ethanone) is COc1cc2c(C3CCC4(CC3)C[C@@H]4C(=O)Cc3ccc(Cl)cc3)ccnc2cc1C.O=C(Cc1ccc(Br)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(c1ccnc3ccncc13)CC2.O=C(Cc1ccc(Cl)cc1)[C@H]1CC12CCC(c1ccnc3ccncc13)CC2.
What is the InChIKey of 2-(4-bromophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-chlorophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-chlorophenyl)-1-[(2S)-6-(6-methoxy-7-methylquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;bis(2-(4-chlorophenyl)-1-[(2S)-6-(1,6-naphthyridin-4-yl)spiro[2.5]octan-2-yl]ethanone)?
The InChIKey is KZTFLJUMXGAFEG-KSZKOFBYSA-N. The full InChI is InChI=1S/C27H28ClNO2.C25H23BrFNO.C25H23ClFNO.2C24H23ClN2O/c1-17-13-24-22(15-26(17)31-2)21(9-12-29-24)19-7-10-27(11-8-19)16-23(27)25(30)14-18-3-5-20(28)6-4-18;2*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;2*25-18-3-1-16(2-4-18)13-23(28)21-14-24(21)9-5-17(6-10-24)19-7-12-27-22-8-11-26-15-20(19)22/h3-6,9,12-13,15,19,23H,7-8,10-11,14,16H2,1-2H3;2*1-6,9,12,14,17,22H,7-8,10-11,13,15H2;2*1-4,7-8,11-12,15,17,21H,5-6,9-10,13-14H2/t19?,23-,27?;2*17?,22-,25?;2*17?,21-,24?/m11111/s1.
What are the key properties of 2-(4-bromophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-chlorophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-chlorophenyl)-1-[(2S)-6-(6-methoxy-7-methylquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;bis(2-(4-chlorophenyl)-1-[(2S)-6-(1,6-naphthyridin-4-yl)spiro[2.5]octan-2-yl]ethanone)?
2-(4-bromophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-chlorophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-chlorophenyl)-1-[(2S)-6-(6-methoxy-7-methylquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;bis(2-(4-chlorophenyl)-1-[(2S)-6-(1,6-naphthyridin-4-yl)spiro[2.5]octan-2-yl]ethanone) has a molecular weight of 2076.09 g/mol, XLogP of 31.31, 21 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-chlorophenyl)-1-[(2S)-6-(6-fluoroquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;2-(4-chlorophenyl)-1-[(2S)-6-(6-methoxy-7-methylquinolin-4-yl)spiro[2.5]octan-2-yl]ethanone;bis(2-(4-chlorophenyl)-1-[(2S)-6-(1,6-naphthyridin-4-yl)spiro[2.5]octan-2-yl]ethanone) is sourced from PubChem (CID 159287982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).