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

C150H143Cl7N10O7 — CID 158812270

IUPAC4-[(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
SMILESCOc1cc2c(C3CCC4(CC3)C[C@@H]4C(=O)Cc3ccc(Cl)cc3)ccnc2cc1C.N#Cc1ccc2nccc(C3CCC4(CC3)C[C@@H]4C(=O)Cc3ccc(Cl)cc3)c2c1.O=C(Cc1ccc(Cl)cc1)[C@@H]1CC12CCC(c1ccnc3ccncc13)CC2.O=C(Cc1ccc(Cl)cc1)[C@H]1CC12CCC(c1ccnc3ccc(Cl)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.C26H23ClN2O.C25H23Cl2NO.3C24H23ClN2O/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;27-20-4-1-17(2-5-20)14-25(30)23-15-26(23)10-7-19(8-11-26)21-9-12-29-24-6-3-18(16-28)13-22(21)24;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;3*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;1-6,9,12-13,19,23H,7-8,10-11,14-15H2;1-6,9,12,14,17,22H,7-8,10-11,13,15H2;3*1-4,7-8,11-12,15,17,21H,5-6,9-10,13-14H2/t19?,23-,27?;19?,23-,26?;17?,22-,25?;3*17?,21-,24?/m111110/s1
InChIKeyIUVLCMDZVSSURW-XTTNMTNWSA-N
MW2446.03 g/mol
LogP37.21
Rot. Bonds25

About 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

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 (PubChem CID 158812270) has the molecular formula C150H143Cl7N10O7 and a molecular weight of 2446.03 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[(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
PubChem CID158812270
Molecular FormulaC150H143Cl7N10O7
Molecular Weight2446.03 g/mol
Exact Mass2440.90
IUPAC Name4-[(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
SMILESCOc1cc2c(C3CCC4(CC3)C[C@@H]4C(=O)Cc3ccc(Cl)cc3)ccnc2cc1C.N#Cc1ccc2nccc(C3CCC4(CC3)C[C@@H]4C(=O)Cc3ccc(Cl)cc3)c2c1.O=C(Cc1ccc(Cl)cc1)[C@@H]1CC12CCC(c1ccnc3ccncc13)CC2.O=C(Cc1ccc(Cl)cc1)[C@H]1CC12CCC(c1ccnc3ccc(Cl)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.C26H23ClN2O.C25H23Cl2NO.3C24H23ClN2O/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;27-20-4-1-17(2-5-20)14-25(30)23-15-26(23)10-7-19(8-11-26)21-9-12-29-24-6-3-18(16-28)13-22(21)24;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;3*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;1-6,9,12-13,19,23H,7-8,10-11,14-15H2;1-6,9,12,14,17,22H,7-8,10-11,13,15H2;3*1-4,7-8,11-12,15,17,21H,5-6,9-10,13-14H2/t19?,23-,27?;19?,23-,26?;17?,22-,25?;3*17?,21-,24?/m111110/s1
InChIKeyIUVLCMDZVSSURW-XTTNMTNWSA-N
XLogP37.21
TPSA251.45 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds25
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002446.03
LogP ≤ 537.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 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 with MolForge

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Related Compounds

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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc2c(C3CCC4(CC3)C[C@@H]4C(=O)Cc3ccc(Cl)cc3)ccnc2cc1C.N#Cc1ccc2nccc(C3CCC4(CC3)C[C@@H]4C(=O)Cc3ccc(Cl)cc3)c2c1.O=C(Cc1ccc(Cl)cc1)[C@@H]1CC12CCC(c1ccnc3ccncc13)CC2.O=C(Cc1ccc(Cl)cc1)[C@H]1CC12CCC(c1ccnc3ccc(Cl)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 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?
The InChIKey is IUVLCMDZVSSURW-XTTNMTNWSA-N. The full InChI is InChI=1S/C27H28ClNO2.C26H23ClN2O.C25H23Cl2NO.3C24H23ClN2O/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;27-20-4-1-17(2-5-20)14-25(30)23-15-26(23)10-7-19(8-11-26)21-9-12-29-24-6-3-18(16-28)13-22(21)24;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;3*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;1-6,9,12-13,19,23H,7-8,10-11,14-15H2;1-6,9,12,14,17,22H,7-8,10-11,13,15H2;3*1-4,7-8,11-12,15,17,21H,5-6,9-10,13-14H2/t19?,23-,27?;19?,23-,26?;17?,22-,25?;3*17?,21-,24?/m111110/s1.
What are the key properties of 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?
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 has a molecular weight of 2446.03 g/mol, XLogP of 37.21, 25 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158812270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).