8-chloro-2,7-bis(2-methoxyethoxy)-4-propan-2-yloxyquinoline;4-[2-(8-chloro-2-cyclopropyloxy-4-propan-2-yloxyquinolin-7-yl)oxyethyl]morpholine;8-chloro-2-ethylsulfanyl-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;1-[8-chloro-7-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine;8-chloro-N-(2-methoxyethyl)-7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-amine;8-chloro-7-(2-morpholin-4-ylethoxy)-N-propan-2-yl-4-propan-2-yloxyquinolin-2-amine

C119H160Cl6N14O22S — CID 161340014

IUPAC8-chloro-2,7-bis(2-methoxyethoxy)-4-propan-2-yloxyquinoline;4-[2-(8-chloro-2-cyclopropyloxy-4-propan-2-yloxyquinolin-7-yl)oxyethyl]morpholine;8-chloro-2-ethylsulfanyl-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;1-[8-chloro-7-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine;8-chloro-N-(2-methoxyethyl)-7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-amine;8-chloro-7-(2-morpholin-4-ylethoxy)-N-propan-2-yl-4-propan-2-yloxyquinolin-2-amine
SMILESCC(C)Nc1cc(OC(C)C)c2ccc(OCCN3CCOCC3)c(Cl)c2n1.CC(C)Oc1cc(OC2CC2)nc2c(Cl)c(OCCN3CCOCC3)ccc12.CCSc1cc(OC(C)C)c2ccc(OCCOC)c(Cl)c2n1.COCCNc1cc(OC(C)C)c2ccc(OCCN3CCOCC3)c(Cl)c2n1.COCCOc1cc(OC(C)C)c2ccc(OCCOC)c(Cl)c2n1.COCCOc1ccc2c(OC(C)C)cc(-n3ccc(NC(C)C)n3)nc2c1Cl
InChIInChI=1S/C21H27ClN4O3.C21H30ClN3O4.C21H30ClN3O3.C21H27ClN2O4.C18H24ClNO5.C17H22ClNO3S/c1-13(2)23-18-8-9-26(25-18)19-12-17(29-14(3)4)15-6-7-16(28-11-10-27-5)20(22)21(15)24-19;1-15(2)29-18-14-19(23-6-10-26-3)24-21-16(18)4-5-17(20(21)22)28-13-9-25-7-11-27-12-8-25;1-14(2)23-19-13-18(28-15(3)4)16-5-6-17(20(22)21(16)24-19)27-12-9-25-7-10-26-11-8-25;1-14(2)27-18-13-19(28-15-3-4-15)23-21-16(18)5-6-17(20(21)22)26-12-9-24-7-10-25-11-8-24;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;1-5-23-15-10-14(22-11(2)3)12-6-7-13(21-9-8-20-4)16(18)17(12)19-15/h6-9,12-14H,10-11H2,1-5H3,(H,23,25);4-5,14-15H,6-13H2,1-3H3,(H,23,24);5-6,13-15H,7-12H2,1-4H3,(H,23,24);5-6,13-15H,3-4,7-12H2,1-2H3;5-6,11-12H,7-10H2,1-4H3;6-7,10-11H,5,8-9H2,1-4H3
InChIKeyVMNRCMPTBPSWJK-UHFFFAOYSA-N
MW2383.45 g/mol
LogP24.82
Rot. Bonds53

About 8-chloro-2,7-bis(2-methoxyethoxy)-4-propan-2-yloxyquinoline;4-[2-(8-chloro-2-cyclopropyloxy-4-propan-2-yloxyquinolin-7-yl)oxyethyl]morpholine;8-chloro-2-ethylsulfanyl-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;1-[8-chloro-7-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine;8-chloro-N-(2-methoxyethyl)-7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-amine;8-chloro-7-(2-morpholin-4-ylethoxy)-N-propan-2-yl-4-propan-2-yloxyquinolin-2-amine

8-chloro-2,7-bis(2-methoxyethoxy)-4-propan-2-yloxyquinoline;4-[2-(8-chloro-2-cyclopropyloxy-4-propan-2-yloxyquinolin-7-yl)oxyethyl]morpholine;8-chloro-2-ethylsulfanyl-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;1-[8-chloro-7-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine;8-chloro-N-(2-methoxyethyl)-7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-amine;8-chloro-7-(2-morpholin-4-ylethoxy)-N-propan-2-yl-4-propan-2-yloxyquinolin-2-amine (PubChem CID 161340014) has the molecular formula C119H160Cl6N14O22S and a molecular weight of 2383.45 g/mol. Its IUPAC name is 8-chloro-2,7-bis(2-methoxyethoxy)-4-propan-2-yloxyquinoline;4-[2-(8-chloro-2-cyclopropyloxy-4-propan-2-yloxyquinolin-7-yl)oxyethyl]morpholine;8-chloro-2-ethylsulfanyl-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;1-[8-chloro-7-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine;8-chloro-N-(2-methoxyethyl)-7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-amine;8-chloro-7-(2-morpholin-4-ylethoxy)-N-propan-2-yl-4-propan-2-yloxyquinolin-2-amine.

Molecular Properties

Compound Name8-chloro-2,7-bis(2-methoxyethoxy)-4-propan-2-yloxyquinoline;4-[2-(8-chloro-2-cyclopropyloxy-4-propan-2-yloxyquinolin-7-yl)oxyethyl]morpholine;8-chloro-2-ethylsulfanyl-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;1-[8-chloro-7-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine;8-chloro-N-(2-methoxyethyl)-7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-amine;8-chloro-7-(2-morpholin-4-ylethoxy)-N-propan-2-yl-4-propan-2-yloxyquinolin-2-amine
PubChem CID161340014
Molecular FormulaC119H160Cl6N14O22S
Molecular Weight2383.45 g/mol
Exact Mass2378.97
IUPAC Name8-chloro-2,7-bis(2-methoxyethoxy)-4-propan-2-yloxyquinoline;4-[2-(8-chloro-2-cyclopropyloxy-4-propan-2-yloxyquinolin-7-yl)oxyethyl]morpholine;8-chloro-2-ethylsulfanyl-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;1-[8-chloro-7-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine;8-chloro-N-(2-methoxyethyl)-7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-amine;8-chloro-7-(2-morpholin-4-ylethoxy)-N-propan-2-yl-4-propan-2-yloxyquinolin-2-amine
SMILESCC(C)Nc1cc(OC(C)C)c2ccc(OCCN3CCOCC3)c(Cl)c2n1.CC(C)Oc1cc(OC2CC2)nc2c(Cl)c(OCCN3CCOCC3)ccc12.CCSc1cc(OC(C)C)c2ccc(OCCOC)c(Cl)c2n1.COCCNc1cc(OC(C)C)c2ccc(OCCN3CCOCC3)c(Cl)c2n1.COCCOc1cc(OC(C)C)c2ccc(OCCOC)c(Cl)c2n1.COCCOc1ccc2c(OC(C)C)cc(-n3ccc(NC(C)C)n3)nc2c1Cl
InChIInChI=1S/C21H27ClN4O3.C21H30ClN3O4.C21H30ClN3O3.C21H27ClN2O4.C18H24ClNO5.C17H22ClNO3S/c1-13(2)23-18-8-9-26(25-18)19-12-17(29-14(3)4)15-6-7-16(28-11-10-27-5)20(22)21(15)24-19;1-15(2)29-18-14-19(23-6-10-26-3)24-21-16(18)4-5-17(20(21)22)28-13-9-25-7-11-27-12-8-25;1-14(2)23-19-13-18(28-15(3)4)16-5-6-17(20(22)21(16)24-19)27-12-9-25-7-10-26-11-8-25;1-14(2)27-18-13-19(28-15-3-4-15)23-21-16(18)5-6-17(20(21)22)26-12-9-24-7-10-25-11-8-24;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;1-5-23-15-10-14(22-11(2)3)12-6-7-13(21-9-8-20-4)16(18)17(12)19-15/h6-9,12-14H,10-11H2,1-5H3,(H,23,25);4-5,14-15H,6-13H2,1-3H3,(H,23,24);5-6,13-15H,7-12H2,1-4H3,(H,23,24);5-6,13-15H,3-4,7-12H2,1-2H3;5-6,11-12H,7-10H2,1-4H3;6-7,10-11H,5,8-9H2,1-4H3
InChIKeyVMNRCMPTBPSWJK-UHFFFAOYSA-N
XLogP24.82
TPSA344.03 Ų
H-Bond Donors3
H-Bond Acceptors37
Rotatable Bonds53
Heavy Atoms162
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002383.45
LogP ≤ 524.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1037

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;4-[2-(8-chloro-2-cyclopropyloxy-4-propan-2-yloxyquinolin-7-yl)oxyethyl]morpholine;8-chloro-2-ethylsulfanyl-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;1-[8-chloro-7-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine;8-chloro-N-(2-methoxyethyl)-7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-amine;8-chloro-7-(2-morpholin-4-ylethoxy)-N-propan-2-yl-4-propan-2-yloxyquinolin-2-amine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2,7-bis(2-methoxyethoxy)-4-propan-2-yloxyquinoline;4-[2-(8-chloro-2-cyclopropyloxy-4-propan-2-yloxyquinolin-7-yl)oxyethyl]morpholine;8-chloro-2-ethylsulfanyl-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;1-[8-chloro-7-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine;8-chloro-N-(2-methoxyethyl)-7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-amine;8-chloro-7-(2-morpholin-4-ylethoxy)-N-propan-2-yl-4-propan-2-yloxyquinolin-2-amine?
The IUPAC name of 8-chloro-2,7-bis(2-methoxyethoxy)-4-propan-2-yloxyquinoline;4-[2-(8-chloro-2-cyclopropyloxy-4-propan-2-yloxyquinolin-7-yl)oxyethyl]morpholine;8-chloro-2-ethylsulfanyl-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;1-[8-chloro-7-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine;8-chloro-N-(2-methoxyethyl)-7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-amine;8-chloro-7-(2-morpholin-4-ylethoxy)-N-propan-2-yl-4-propan-2-yloxyquinolin-2-amine (CID 161340014) is 8-chloro-2,7-bis(2-methoxyethoxy)-4-propan-2-yloxyquinoline;4-[2-(8-chloro-2-cyclopropyloxy-4-propan-2-yloxyquinolin-7-yl)oxyethyl]morpholine;8-chloro-2-ethylsulfanyl-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;1-[8-chloro-7-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine;8-chloro-N-(2-methoxyethyl)-7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-amine;8-chloro-7-(2-morpholin-4-ylethoxy)-N-propan-2-yl-4-propan-2-yloxyquinolin-2-amine.
What is the SMILES notation for 8-chloro-2,7-bis(2-methoxyethoxy)-4-propan-2-yloxyquinoline;4-[2-(8-chloro-2-cyclopropyloxy-4-propan-2-yloxyquinolin-7-yl)oxyethyl]morpholine;8-chloro-2-ethylsulfanyl-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;1-[8-chloro-7-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine;8-chloro-N-(2-methoxyethyl)-7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-amine;8-chloro-7-(2-morpholin-4-ylethoxy)-N-propan-2-yl-4-propan-2-yloxyquinolin-2-amine?
The canonical SMILES for 8-chloro-2,7-bis(2-methoxyethoxy)-4-propan-2-yloxyquinoline;4-[2-(8-chloro-2-cyclopropyloxy-4-propan-2-yloxyquinolin-7-yl)oxyethyl]morpholine;8-chloro-2-ethylsulfanyl-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;1-[8-chloro-7-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine;8-chloro-N-(2-methoxyethyl)-7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-amine;8-chloro-7-(2-morpholin-4-ylethoxy)-N-propan-2-yl-4-propan-2-yloxyquinolin-2-amine is CC(C)Nc1cc(OC(C)C)c2ccc(OCCN3CCOCC3)c(Cl)c2n1.CC(C)Oc1cc(OC2CC2)nc2c(Cl)c(OCCN3CCOCC3)ccc12.CCSc1cc(OC(C)C)c2ccc(OCCOC)c(Cl)c2n1.COCCNc1cc(OC(C)C)c2ccc(OCCN3CCOCC3)c(Cl)c2n1.COCCOc1cc(OC(C)C)c2ccc(OCCOC)c(Cl)c2n1.COCCOc1ccc2c(OC(C)C)cc(-n3ccc(NC(C)C)n3)nc2c1Cl.
What is the InChIKey of 8-chloro-2,7-bis(2-methoxyethoxy)-4-propan-2-yloxyquinoline;4-[2-(8-chloro-2-cyclopropyloxy-4-propan-2-yloxyquinolin-7-yl)oxyethyl]morpholine;8-chloro-2-ethylsulfanyl-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;1-[8-chloro-7-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine;8-chloro-N-(2-methoxyethyl)-7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-amine;8-chloro-7-(2-morpholin-4-ylethoxy)-N-propan-2-yl-4-propan-2-yloxyquinolin-2-amine?
The InChIKey is VMNRCMPTBPSWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN4O3.C21H30ClN3O4.C21H30ClN3O3.C21H27ClN2O4.C18H24ClNO5.C17H22ClNO3S/c1-13(2)23-18-8-9-26(25-18)19-12-17(29-14(3)4)15-6-7-16(28-11-10-27-5)20(22)21(15)24-19;1-15(2)29-18-14-19(23-6-10-26-3)24-21-16(18)4-5-17(20(21)22)28-13-9-25-7-11-27-12-8-25;1-14(2)23-19-13-18(28-15(3)4)16-5-6-17(20(22)21(16)24-19)27-12-9-25-7-10-26-11-8-25;1-14(2)27-18-13-19(28-15-3-4-15)23-21-16(18)5-6-17(20(21)22)26-12-9-24-7-10-25-11-8-24;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;1-5-23-15-10-14(22-11(2)3)12-6-7-13(21-9-8-20-4)16(18)17(12)19-15/h6-9,12-14H,10-11H2,1-5H3,(H,23,25);4-5,14-15H,6-13H2,1-3H3,(H,23,24);5-6,13-15H,7-12H2,1-4H3,(H,23,24);5-6,13-15H,3-4,7-12H2,1-2H3;5-6,11-12H,7-10H2,1-4H3;6-7,10-11H,5,8-9H2,1-4H3.
What are the key properties of 8-chloro-2,7-bis(2-methoxyethoxy)-4-propan-2-yloxyquinoline;4-[2-(8-chloro-2-cyclopropyloxy-4-propan-2-yloxyquinolin-7-yl)oxyethyl]morpholine;8-chloro-2-ethylsulfanyl-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;1-[8-chloro-7-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine;8-chloro-N-(2-methoxyethyl)-7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-amine;8-chloro-7-(2-morpholin-4-ylethoxy)-N-propan-2-yl-4-propan-2-yloxyquinolin-2-amine?
8-chloro-2,7-bis(2-methoxyethoxy)-4-propan-2-yloxyquinoline;4-[2-(8-chloro-2-cyclopropyloxy-4-propan-2-yloxyquinolin-7-yl)oxyethyl]morpholine;8-chloro-2-ethylsulfanyl-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;1-[8-chloro-7-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine;8-chloro-N-(2-methoxyethyl)-7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-amine;8-chloro-7-(2-morpholin-4-ylethoxy)-N-propan-2-yl-4-propan-2-yloxyquinolin-2-amine has a molecular weight of 2383.45 g/mol, XLogP of 24.82, 53 rotatable bonds, 3 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2,7-bis(2-methoxyethoxy)-4-propan-2-yloxyquinoline;4-[2-(8-chloro-2-cyclopropyloxy-4-propan-2-yloxyquinolin-7-yl)oxyethyl]morpholine;8-chloro-2-ethylsulfanyl-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;1-[8-chloro-7-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine;8-chloro-N-(2-methoxyethyl)-7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-amine;8-chloro-7-(2-morpholin-4-ylethoxy)-N-propan-2-yl-4-propan-2-yloxyquinolin-2-amine is sourced from PubChem (CID 161340014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).