8-chloro-2,7-bis(2-methoxyethoxy)-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;8-chloro-2-ethylsulfanyl-4-propan-2-yloxy-7-propoxyquinoline;8-chloro-7-(2-methoxyethoxy)-2-[3-(2-methylpropyl)pyrazol-1-yl]-4-propan-2-yloxyquinoline;4-[2-[8-chloro-2-(2-methylpropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine — IUPAC name, SMILES, InChIKey & properties

Name: 8-chloro-2,7-bis(2-methoxyethoxy)-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;8-chloro-2-ethylsulfanyl-4-propan-2-yloxy-7-propoxyquinoline;8-chloro-7-(2-methoxyethoxy)-2-[3-(2-methylpropyl)pyrazol-1-yl]-4-propan-2-yloxyquinoline;4-[2-[8-chloro-2-(2-methylpropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 8-chloro-2,7-bis(2-methoxyethoxy)-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;8-chloro-2-ethylsulfanyl-4-propan-2-yloxy-7-propoxyquinoline;8-chloro-7-(2-methoxyethoxy)-2-[3-(2-methylpropyl)pyrazol-1-yl]-4-propan-2-yloxyquinoline;4-[2-[8-chloro-2-(2-methylpropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine

8-chloro-2,7-bis(2-methoxyethoxy)-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;8-chloro-2-ethylsulfanyl-4-propan-2-yloxy-7-propoxyquinoline;8-chloro-7-(2-methoxyethoxy)-2-[3-(2-methylpropyl)pyrazol-1-yl]-4-propan-2-yloxyquinoline;4-[2-[8-chloro-2-(2-methylpropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine (PubChem CID 161183887) has the molecular formula C96H127Cl5N8O17S and a molecular weight of 1874.44 g/mol. Its IUPAC name is 8-chloro-2,7-bis(2-methoxyethoxy)-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;8-chloro-2-ethylsulfanyl-4-propan-2-yloxy-7-propoxyquinoline;8-chloro-7-(2-methoxyethoxy)-2-[3-(2-methylpropyl)pyrazol-1-yl]-4-propan-2-yloxyquinoline;4-[2-[8-chloro-2-(2-methylpropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine.

Molecular Properties

Compound Name	8-chloro-2,7-bis(2-methoxyethoxy)-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;8-chloro-2-ethylsulfanyl-4-propan-2-yloxy-7-propoxyquinoline;8-chloro-7-(2-methoxyethoxy)-2-[3-(2-methylpropyl)pyrazol-1-yl]-4-propan-2-yloxyquinoline;4-[2-[8-chloro-2-(2-methylpropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine
PubChem CID	161183887
Molecular Formula	C96H127Cl5N8O17S
Molecular Weight	1874.44 g/mol
Exact Mass	1870.75
IUPAC Name	8-chloro-2,7-bis(2-methoxyethoxy)-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;8-chloro-2-ethylsulfanyl-4-propan-2-yloxy-7-propoxyquinoline;8-chloro-7-(2-methoxyethoxy)-2-[3-(2-methylpropyl)pyrazol-1-yl]-4-propan-2-yloxyquinoline;4-[2-[8-chloro-2-(2-methylpropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine
SMILES	CC(C)Cc1cc(OC(C)C)c2ccc(OCCN3CCOCC3)c(Cl)c2n1.CCCOc1ccc2c(OC(C)C)cc(SCC)nc2c1Cl.CCOc1cc(OC(C)C)c2ccc(OCCOC)c(Cl)c2n1.COCCOc1cc(OC(C)C)c2ccc(OCCOC)c(Cl)c2n1.COCCOc1ccc2c(OC(C)C)cc(-n3ccc(CC(C)C)n3)nc2c1Cl
InChI	InChI=1S/C22H28ClN3O3.C22H31ClN2O3.C18H24ClNO5.C17H22ClNO4.C17H22ClNO2S/c1-14(2)12-16-8-9-26(25-16)20-13-19(29-15(3)4)17-6-7-18(28-11-10-27-5)21(23)22(17)24-20;1-15(2)13-17-14-20(28-16(3)4)18-5-6-19(21(23)22(18)24-17)27-12-9-25-7-10-26-11-8-25;1-12(2)25-15-11-16(24-10-8-22-4)20-18-13(15)5-6-14(17(18)19)23-9-7-21-3;1-5-21-15-10-14(23-11(2)3)12-6-7-13(22-9-8-20-4)16(18)17(12)19-15;1-5-9-20-13-8-7-12-14(21-11(3)4)10-15(22-6-2)19-17(12)16(13)18/h6-9,13-15H,10-12H2,1-5H3;5-6,14-16H,7-13H2,1-4H3;5-6,11-12H,7-10H2,1-4H3;6-7,10-11H,5,8-9H2,1-4H3;7-8,10-11H,5-6,9H2,1-4H3
InChIKey	USVHSAJNBWFDIB-UHFFFAOYSA-N
XLogP	23.07
TPSA	242.42 Å²
H-Bond Donors
H-Bond Acceptors	26
Rotatable Bonds	42
Heavy Atoms	127
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1874.44
LogP ≤ 5	23.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 8-chloro-2,7-bis(2-methoxyethoxy)-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;8-chloro-2-ethylsulfanyl-4-propan-2-yloxy-7-propoxyquinoline;8-chloro-7-(2-methoxyethoxy)-2-[3-(2-methylpropyl)pyrazol-1-yl]-4-propan-2-yloxyquinoline;4-[2-[8-chloro-2-(2-methylpropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2,7-bis(2-methoxyethoxy)-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;8-chloro-2-ethylsulfanyl-4-propan-2-yloxy-7-propoxyquinoline;8-chloro-7-(2-methoxyethoxy)-2-[3-(2-methylpropyl)pyrazol-1-yl]-4-propan-2-yloxyquinoline;4-[2-[8-chloro-2-(2-methylpropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine?

The IUPAC name of 8-chloro-2,7-bis(2-methoxyethoxy)-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;8-chloro-2-ethylsulfanyl-4-propan-2-yloxy-7-propoxyquinoline;8-chloro-7-(2-methoxyethoxy)-2-[3-(2-methylpropyl)pyrazol-1-yl]-4-propan-2-yloxyquinoline;4-[2-[8-chloro-2-(2-methylpropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine (CID 161183887) is 8-chloro-2,7-bis(2-methoxyethoxy)-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;8-chloro-2-ethylsulfanyl-4-propan-2-yloxy-7-propoxyquinoline;8-chloro-7-(2-methoxyethoxy)-2-[3-(2-methylpropyl)pyrazol-1-yl]-4-propan-2-yloxyquinoline;4-[2-[8-chloro-2-(2-methylpropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine.

What is the SMILES notation for 8-chloro-2,7-bis(2-methoxyethoxy)-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;8-chloro-2-ethylsulfanyl-4-propan-2-yloxy-7-propoxyquinoline;8-chloro-7-(2-methoxyethoxy)-2-[3-(2-methylpropyl)pyrazol-1-yl]-4-propan-2-yloxyquinoline;4-[2-[8-chloro-2-(2-methylpropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine?

The canonical SMILES for 8-chloro-2,7-bis(2-methoxyethoxy)-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;8-chloro-2-ethylsulfanyl-4-propan-2-yloxy-7-propoxyquinoline;8-chloro-7-(2-methoxyethoxy)-2-[3-(2-methylpropyl)pyrazol-1-yl]-4-propan-2-yloxyquinoline;4-[2-[8-chloro-2-(2-methylpropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine is CC(C)Cc1cc(OC(C)C)c2ccc(OCCN3CCOCC3)c(Cl)c2n1.CCCOc1ccc2c(OC(C)C)cc(SCC)nc2c1Cl.CCOc1cc(OC(C)C)c2ccc(OCCOC)c(Cl)c2n1.COCCOc1cc(OC(C)C)c2ccc(OCCOC)c(Cl)c2n1.COCCOc1ccc2c(OC(C)C)cc(-n3ccc(CC(C)C)n3)nc2c1Cl.

What is the InChIKey of 8-chloro-2,7-bis(2-methoxyethoxy)-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;8-chloro-2-ethylsulfanyl-4-propan-2-yloxy-7-propoxyquinoline;8-chloro-7-(2-methoxyethoxy)-2-[3-(2-methylpropyl)pyrazol-1-yl]-4-propan-2-yloxyquinoline;4-[2-[8-chloro-2-(2-methylpropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine?

The InChIKey is USVHSAJNBWFDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O3.C22H31ClN2O3.C18H24ClNO5.C17H22ClNO4.C17H22ClNO2S/c1-14(2)12-16-8-9-26(25-16)20-13-19(29-15(3)4)17-6-7-18(28-11-10-27-5)21(23)22(17)24-20;1-15(2)13-17-14-20(28-16(3)4)18-5-6-19(21(23)22(18)24-17)27-12-9-25-7-10-26-11-8-25;1-12(2)25-15-11-16(24-10-8-22-4)20-18-13(15)5-6-14(17(18)19)23-9-7-21-3;1-5-21-15-10-14(23-11(2)3)12-6-7-13(22-9-8-20-4)16(18)17(12)19-15;1-5-9-20-13-8-7-12-14(21-11(3)4)10-15(22-6-2)19-17(12)16(13)18/h6-9,13-15H,10-12H2,1-5H3;5-6,14-16H,7-13H2,1-4H3;5-6,11-12H,7-10H2,1-4H3;6-7,10-11H,5,8-9H2,1-4H3;7-8,10-11H,5-6,9H2,1-4H3.

What are the key properties of 8-chloro-2,7-bis(2-methoxyethoxy)-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;8-chloro-2-ethylsulfanyl-4-propan-2-yloxy-7-propoxyquinoline;8-chloro-7-(2-methoxyethoxy)-2-[3-(2-methylpropyl)pyrazol-1-yl]-4-propan-2-yloxyquinoline;4-[2-[8-chloro-2-(2-methylpropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine?

Where does this data come from?

All data for 8-chloro-2,7-bis(2-methoxyethoxy)-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;8-chloro-2-ethylsulfanyl-4-propan-2-yloxy-7-propoxyquinoline;8-chloro-7-(2-methoxyethoxy)-2-[3-(2-methylpropyl)pyrazol-1-yl]-4-propan-2-yloxyquinoline;4-[2-[8-chloro-2-(2-methylpropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine is sourced from PubChem (CID 161183887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).