3-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-5-propan-2-yl-1,2-oxazole;2-(8-chloro-4-propan-2-yloxy-7-propoxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-4-amine;1-(7-methoxy-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-ylpyrazol-3-amine;1-[7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine

C83H104Cl2N14O10S — CID 159884732

IUPAC3-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-5-propan-2-yl-1,2-oxazole;2-(8-chloro-4-propan-2-yloxy-7-propoxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-4-amine;1-(7-methoxy-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-ylpyrazol-3-amine;1-[7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine
SMILESCC(C)Nc1ccn(-c2cc(OC(C)C)c3ccc(OCCN4CCOCC4)cc3n2)n1.CCCOc1ccc2c(OC(C)C)cc(-c3nc(NC(C)C)cs3)nc2c1Cl.COc1ccc2c(OC(C)C)cc(-c3cc(C(C)C)on3)nc2c1Cl.COc1ccc2c(OC(C)C)cc(-n3ccc(NC(C)C)n3)nc2c1
InChIInChI=1S/C24H33N5O3.C21H26ClN3O2S.C19H21ClN2O3.C19H24N4O2/c1-17(2)25-23-7-8-29(27-23)24-16-22(32-18(3)4)20-6-5-19(15-21(20)26-24)31-14-11-28-9-12-30-13-10-28;1-6-9-26-16-8-7-14-17(27-13(4)5)10-15(24-20(14)19(16)22)21-25-18(11-28-21)23-12(2)3;1-10(2)16-9-14(22-25-16)13-8-17(24-11(3)4)12-6-7-15(23-5)18(20)19(12)21-13;1-12(2)20-18-8-9-23(22-18)19-11-17(25-13(3)4)15-7-6-14(24-5)10-16(15)21-19/h5-8,15-18H,9-14H2,1-4H3,(H,25,27);7-8,10-13,23H,6,9H2,1-5H3;6-11H,1-5H3;6-13H,1-5H3,(H,20,22)
InChIKeyNTZFZFSTEVRONW-UHFFFAOYSA-N
MW1560.81 g/mol
LogP19.65
Rot. Bonds28

About 3-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-5-propan-2-yl-1,2-oxazole;2-(8-chloro-4-propan-2-yloxy-7-propoxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-4-amine;1-(7-methoxy-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-ylpyrazol-3-amine;1-[7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine

3-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-5-propan-2-yl-1,2-oxazole;2-(8-chloro-4-propan-2-yloxy-7-propoxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-4-amine;1-(7-methoxy-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-ylpyrazol-3-amine;1-[7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine (PubChem CID 159884732) has the molecular formula C83H104Cl2N14O10S and a molecular weight of 1560.81 g/mol. Its IUPAC name is 3-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-5-propan-2-yl-1,2-oxazole;2-(8-chloro-4-propan-2-yloxy-7-propoxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-4-amine;1-(7-methoxy-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-ylpyrazol-3-amine;1-[7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine.

Molecular Properties

Compound Name3-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-5-propan-2-yl-1,2-oxazole;2-(8-chloro-4-propan-2-yloxy-7-propoxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-4-amine;1-(7-methoxy-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-ylpyrazol-3-amine;1-[7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine
PubChem CID159884732
Molecular FormulaC83H104Cl2N14O10S
Molecular Weight1560.81 g/mol
Exact Mass1558.72
IUPAC Name3-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-5-propan-2-yl-1,2-oxazole;2-(8-chloro-4-propan-2-yloxy-7-propoxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-4-amine;1-(7-methoxy-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-ylpyrazol-3-amine;1-[7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine
SMILESCC(C)Nc1ccn(-c2cc(OC(C)C)c3ccc(OCCN4CCOCC4)cc3n2)n1.CCCOc1ccc2c(OC(C)C)cc(-c3nc(NC(C)C)cs3)nc2c1Cl.COc1ccc2c(OC(C)C)cc(-c3cc(C(C)C)on3)nc2c1Cl.COc1ccc2c(OC(C)C)cc(-n3ccc(NC(C)C)n3)nc2c1
InChIInChI=1S/C24H33N5O3.C21H26ClN3O2S.C19H21ClN2O3.C19H24N4O2/c1-17(2)25-23-7-8-29(27-23)24-16-22(32-18(3)4)20-6-5-19(15-21(20)26-24)31-14-11-28-9-12-30-13-10-28;1-6-9-26-16-8-7-14-17(27-13(4)5)10-15(24-20(14)19(16)22)21-25-18(11-28-21)23-12(2)3;1-10(2)16-9-14(22-25-16)13-8-17(24-11(3)4)12-6-7-15(23-5)18(20)19(12)21-13;1-12(2)20-18-8-9-23(22-18)19-11-17(25-13(3)4)15-7-6-14(24-5)10-16(15)21-19/h5-8,15-18H,9-14H2,1-4H3,(H,25,27);7-8,10-13,23H,6,9H2,1-5H3;6-11H,1-5H3;6-13H,1-5H3,(H,20,22)
InChIKeyNTZFZFSTEVRONW-UHFFFAOYSA-N
XLogP19.65
TPSA248.52 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds28
Heavy Atoms110
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001560.81
LogP ≤ 519.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Analyze 3-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-5-propan-2-yl-1,2-oxazole;2-(8-chloro-4-propan-2-yloxy-7-propoxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-4-amine;1-(7-methoxy-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-ylpyrazol-3-amine;1-[7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-5-propan-2-yl-1,2-oxazole;2-(8-chloro-4-propan-2-yloxy-7-propoxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-4-amine;1-(7-methoxy-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-ylpyrazol-3-amine;1-[7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine?
The IUPAC name of 3-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-5-propan-2-yl-1,2-oxazole;2-(8-chloro-4-propan-2-yloxy-7-propoxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-4-amine;1-(7-methoxy-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-ylpyrazol-3-amine;1-[7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine (CID 159884732) is 3-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-5-propan-2-yl-1,2-oxazole;2-(8-chloro-4-propan-2-yloxy-7-propoxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-4-amine;1-(7-methoxy-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-ylpyrazol-3-amine;1-[7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine.
What is the SMILES notation for 3-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-5-propan-2-yl-1,2-oxazole;2-(8-chloro-4-propan-2-yloxy-7-propoxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-4-amine;1-(7-methoxy-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-ylpyrazol-3-amine;1-[7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine?
The canonical SMILES for 3-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-5-propan-2-yl-1,2-oxazole;2-(8-chloro-4-propan-2-yloxy-7-propoxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-4-amine;1-(7-methoxy-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-ylpyrazol-3-amine;1-[7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine is CC(C)Nc1ccn(-c2cc(OC(C)C)c3ccc(OCCN4CCOCC4)cc3n2)n1.CCCOc1ccc2c(OC(C)C)cc(-c3nc(NC(C)C)cs3)nc2c1Cl.COc1ccc2c(OC(C)C)cc(-c3cc(C(C)C)on3)nc2c1Cl.COc1ccc2c(OC(C)C)cc(-n3ccc(NC(C)C)n3)nc2c1.
What is the InChIKey of 3-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-5-propan-2-yl-1,2-oxazole;2-(8-chloro-4-propan-2-yloxy-7-propoxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-4-amine;1-(7-methoxy-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-ylpyrazol-3-amine;1-[7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine?
The InChIKey is NTZFZFSTEVRONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O3.C21H26ClN3O2S.C19H21ClN2O3.C19H24N4O2/c1-17(2)25-23-7-8-29(27-23)24-16-22(32-18(3)4)20-6-5-19(15-21(20)26-24)31-14-11-28-9-12-30-13-10-28;1-6-9-26-16-8-7-14-17(27-13(4)5)10-15(24-20(14)19(16)22)21-25-18(11-28-21)23-12(2)3;1-10(2)16-9-14(22-25-16)13-8-17(24-11(3)4)12-6-7-15(23-5)18(20)19(12)21-13;1-12(2)20-18-8-9-23(22-18)19-11-17(25-13(3)4)15-7-6-14(24-5)10-16(15)21-19/h5-8,15-18H,9-14H2,1-4H3,(H,25,27);7-8,10-13,23H,6,9H2,1-5H3;6-11H,1-5H3;6-13H,1-5H3,(H,20,22).
What are the key properties of 3-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-5-propan-2-yl-1,2-oxazole;2-(8-chloro-4-propan-2-yloxy-7-propoxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-4-amine;1-(7-methoxy-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-ylpyrazol-3-amine;1-[7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine?
3-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-5-propan-2-yl-1,2-oxazole;2-(8-chloro-4-propan-2-yloxy-7-propoxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-4-amine;1-(7-methoxy-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-ylpyrazol-3-amine;1-[7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine has a molecular weight of 1560.81 g/mol, XLogP of 19.65, 28 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-chloro-7-methoxy-4-propan-2-yloxyquinolin-2-yl)-5-propan-2-yl-1,2-oxazole;2-(8-chloro-4-propan-2-yloxy-7-propoxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-4-amine;1-(7-methoxy-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-ylpyrazol-3-amine;1-[7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine is sourced from PubChem (CID 159884732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).