2-[(1S)-1-[8-chloro-2-(2-chloro-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione;2-[(1S)-1-[8-chloro-2-(2-ethyl-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione;2-[(1S)-1-[8-chloro-2-(5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione

C74H48Cl4F3N9O6 — CID 157190952

IUPAC2-[(1S)-1-[8-chloro-2-(2-chloro-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione;2-[(1S)-1-[8-chloro-2-(2-ethyl-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione;2-[(1S)-1-[8-chloro-2-(5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione
SMILESCCc1ncc(F)cc1-c1nc2c(Cl)cccc2cc1[C@H](C)N1C(=O)c2ccccc2C1=O.C[C@@H](c1cc2cccc(Cl)c2nc1-c1cc(F)cnc1Cl)N1C(=O)c2ccccc2C1=O.C[C@@H](c1cc2cccc(Cl)c2nc1-c1cncc(F)c1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C26H19ClFN3O2.C24H14Cl2FN3O2.C24H15ClFN3O2/c1-3-22-20(12-16(28)13-29-22)24-19(11-15-7-6-10-21(27)23(15)30-24)14(2)31-25(32)17-8-4-5-9-18(17)26(31)33;1-12(30-23(31)15-6-2-3-7-16(15)24(30)32)17-9-13-5-4-8-19(25)20(13)29-21(17)18-10-14(27)11-28-22(18)26;1-13(29-23(30)17-6-2-3-7-18(17)24(29)31)19-10-14-5-4-8-20(25)22(14)28-21(19)15-9-16(26)12-27-11-15/h4-14H,3H2,1-2H3;2-12H,1H3;2-13H,1H3/t14-;12-;13-/m000/s1
InChIKeyAPRNKOUESQOYCR-KKEGUKTISA-N
MW1358.06 g/mol
LogP17.56
Rot. Bonds10

About 2-[(1S)-1-[8-chloro-2-(2-chloro-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione;2-[(1S)-1-[8-chloro-2-(2-ethyl-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione;2-[(1S)-1-[8-chloro-2-(5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione

2-[(1S)-1-[8-chloro-2-(2-chloro-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione;2-[(1S)-1-[8-chloro-2-(2-ethyl-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione;2-[(1S)-1-[8-chloro-2-(5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione (PubChem CID 157190952) has the molecular formula C74H48Cl4F3N9O6 and a molecular weight of 1358.06 g/mol. Its IUPAC name is 2-[(1S)-1-[8-chloro-2-(2-chloro-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione;2-[(1S)-1-[8-chloro-2-(2-ethyl-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione;2-[(1S)-1-[8-chloro-2-(5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(1S)-1-[8-chloro-2-(2-chloro-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione;2-[(1S)-1-[8-chloro-2-(2-ethyl-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione;2-[(1S)-1-[8-chloro-2-(5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione
PubChem CID157190952
Molecular FormulaC74H48Cl4F3N9O6
Molecular Weight1358.06 g/mol
Exact Mass1355.24
IUPAC Name2-[(1S)-1-[8-chloro-2-(2-chloro-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione;2-[(1S)-1-[8-chloro-2-(2-ethyl-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione;2-[(1S)-1-[8-chloro-2-(5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione
SMILESCCc1ncc(F)cc1-c1nc2c(Cl)cccc2cc1[C@H](C)N1C(=O)c2ccccc2C1=O.C[C@@H](c1cc2cccc(Cl)c2nc1-c1cc(F)cnc1Cl)N1C(=O)c2ccccc2C1=O.C[C@@H](c1cc2cccc(Cl)c2nc1-c1cncc(F)c1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C26H19ClFN3O2.C24H14Cl2FN3O2.C24H15ClFN3O2/c1-3-22-20(12-16(28)13-29-22)24-19(11-15-7-6-10-21(27)23(15)30-24)14(2)31-25(32)17-8-4-5-9-18(17)26(31)33;1-12(30-23(31)15-6-2-3-7-16(15)24(30)32)17-9-13-5-4-8-19(25)20(13)29-21(17)18-10-14(27)11-28-22(18)26;1-13(29-23(30)17-6-2-3-7-18(17)24(29)31)19-10-14-5-4-8-20(25)22(14)28-21(19)15-9-16(26)12-27-11-15/h4-14H,3H2,1-2H3;2-12H,1H3;2-13H,1H3/t14-;12-;13-/m000/s1
InChIKeyAPRNKOUESQOYCR-KKEGUKTISA-N
XLogP17.56
TPSA189.48 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001358.06
LogP ≤ 517.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[(1S)-1-[8-chloro-2-(2-chloro-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione;2-[(1S)-1-[8-chloro-2-(2-ethyl-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione;2-[(1S)-1-[8-chloro-2-(5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione with MolForge

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Launch Full Analysis

Related Compounds

2-[4-[3-(6-Chloroquinolin-2-yl)-6-fluoroindol-1-yl]butyl]isoindole-1,3-dione
CID 18729481
2-[(1R)-1-[8-chloro-2-(5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione
CID 57707878
2-[(1R)-1-[8-chloro-2-(2-chloro-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione
CID 57707957
2-[(1R)-1-[8-chloro-2-(2-ethyl-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione
CID 57707961
2-((S)-1-(8-chloro-2-(2-ethyl-5-fluoropyridin-3-yl)quinolin-3-yl)ethyl)isoindoline-1,3-dione
CID 68941408
2-[(1S)-1-[8-chloro-2-(5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione
CID 68947253
2-[1-[8-Chloro-2-(5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione
CID 76599357
2-[1-[8-Chloro-2-(2-chloro-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione
CID 76599371
2-[1-[8-Chloro-2-(2-ethyl-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione
CID 76599372
2-((S)-1-(8-chloro-2-(2-chloro-5-fluoropyridin-3-yl)quinolin-3-yl)-ethyl)isoindoline-1,3-dione
CID 86630634
5-[[8-chloro-2-(2-chloro-5-fluoro-3-pyridinyl)-3-[(1S)-1-(1,3-dioxoisoindol-2-yl)ethyl]quinolin-7-yl]methyl]-2-[(1S)-1-[8-chloro-2-(2-ethyl-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione
CID 145483327
8-chloro-2-(7-ethynyl-5-fluoro-1H-indol-3-yl)quinoline;2-(7-chloro-4-fluoro-1H-indol-3-yl)quinoline;2-(5,6-difluoro-1H-indol-3-yl)-8-fluoroquinoline;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-N-methyl-8-(trifluoromethyl)quinoline-5-carboxamide;6-fluoro-2-(7-methyl-1H-indol-3-yl)quinoline;2-(1H-indol-3-yl)-N-methylquinoline-5-carboxamide;2-(5,6,7-trifluoro-1H-indol-3-yl)-5-(trifluoromethyl)quinoline
CID 157796486

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-[8-chloro-2-(2-chloro-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione;2-[(1S)-1-[8-chloro-2-(2-ethyl-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione;2-[(1S)-1-[8-chloro-2-(5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[(1S)-1-[8-chloro-2-(2-chloro-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione;2-[(1S)-1-[8-chloro-2-(2-ethyl-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione;2-[(1S)-1-[8-chloro-2-(5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione (CID 157190952) is 2-[(1S)-1-[8-chloro-2-(2-chloro-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione;2-[(1S)-1-[8-chloro-2-(2-ethyl-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione;2-[(1S)-1-[8-chloro-2-(5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(1S)-1-[8-chloro-2-(2-chloro-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione;2-[(1S)-1-[8-chloro-2-(2-ethyl-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione;2-[(1S)-1-[8-chloro-2-(5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(1S)-1-[8-chloro-2-(2-chloro-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione;2-[(1S)-1-[8-chloro-2-(2-ethyl-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione;2-[(1S)-1-[8-chloro-2-(5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione is CCc1ncc(F)cc1-c1nc2c(Cl)cccc2cc1[C@H](C)N1C(=O)c2ccccc2C1=O.C[C@@H](c1cc2cccc(Cl)c2nc1-c1cc(F)cnc1Cl)N1C(=O)c2ccccc2C1=O.C[C@@H](c1cc2cccc(Cl)c2nc1-c1cncc(F)c1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(1S)-1-[8-chloro-2-(2-chloro-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione;2-[(1S)-1-[8-chloro-2-(2-ethyl-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione;2-[(1S)-1-[8-chloro-2-(5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione?
The InChIKey is APRNKOUESQOYCR-KKEGUKTISA-N. The full InChI is InChI=1S/C26H19ClFN3O2.C24H14Cl2FN3O2.C24H15ClFN3O2/c1-3-22-20(12-16(28)13-29-22)24-19(11-15-7-6-10-21(27)23(15)30-24)14(2)31-25(32)17-8-4-5-9-18(17)26(31)33;1-12(30-23(31)15-6-2-3-7-16(15)24(30)32)17-9-13-5-4-8-19(25)20(13)29-21(17)18-10-14(27)11-28-22(18)26;1-13(29-23(30)17-6-2-3-7-18(17)24(29)31)19-10-14-5-4-8-20(25)22(14)28-21(19)15-9-16(26)12-27-11-15/h4-14H,3H2,1-2H3;2-12H,1H3;2-13H,1H3/t14-;12-;13-/m000/s1.
What are the key properties of 2-[(1S)-1-[8-chloro-2-(2-chloro-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione;2-[(1S)-1-[8-chloro-2-(2-ethyl-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione;2-[(1S)-1-[8-chloro-2-(5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione?
2-[(1S)-1-[8-chloro-2-(2-chloro-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione;2-[(1S)-1-[8-chloro-2-(2-ethyl-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione;2-[(1S)-1-[8-chloro-2-(5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione has a molecular weight of 1358.06 g/mol, XLogP of 17.56, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-[8-chloro-2-(2-chloro-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione;2-[(1S)-1-[8-chloro-2-(2-ethyl-5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione;2-[(1S)-1-[8-chloro-2-(5-fluoro-3-pyridinyl)quinolin-3-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 157190952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).