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

C85H106Cl3N15O12 — CID 157098093

IUPAC8-chloro-7-methoxy-4-propan-2-yloxy-2-pyrazol-1-ylquinoline;4-[8-chloro-7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-oxazol-2-amine;4-(8-chloro-4-propan-2-yloxy-7-propoxyquinolin-2-yl)-N-propan-2-yl-1,3-oxazol-2-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.CC(C)Nc1nc(-c2cc(OC(C)C)c3ccc(OCCN4CCOCC4)c(Cl)c3n2)co1.CCCOc1ccc2c(OC(C)C)cc(-c3coc(NC(C)C)n3)nc2c1Cl.COc1ccc2c(OC(C)C)cc(-n3cccn3)nc2c1Cl
InChIInChI=1S/C24H31ClN4O4.C24H33N5O3.C21H26ClN3O3.C16H16ClN3O2/c1-15(2)26-24-28-19(14-32-24)18-13-21(33-16(3)4)17-5-6-20(22(25)23(17)27-18)31-12-9-29-7-10-30-11-8-29;1-17(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;1-6-9-26-17-8-7-14-18(28-13(4)5)10-15(24-20(14)19(17)22)16-11-27-21(25-16)23-12(2)3;1-10(2)22-13-9-14(20-8-4-7-18-20)19-16-11(13)5-6-12(21-3)15(16)17/h5-6,13-16H,7-12H2,1-4H3,(H,26,28);5-8,15-18H,9-14H2,1-4H3,(H,25,27);7-8,10-13H,6,9H2,1-5H3,(H,23,25);4-10H,1-3H3
InChIKeyAFLCPWOJLHNTOC-UHFFFAOYSA-N
MW1636.23 g/mol
LogP18.41
Rot. Bonds30

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

8-chloro-7-methoxy-4-propan-2-yloxy-2-pyrazol-1-ylquinoline;4-[8-chloro-7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-oxazol-2-amine;4-(8-chloro-4-propan-2-yloxy-7-propoxyquinolin-2-yl)-N-propan-2-yl-1,3-oxazol-2-amine;1-[7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine (PubChem CID 157098093) has the molecular formula C85H106Cl3N15O12 and a molecular weight of 1636.23 g/mol. Its IUPAC name is 8-chloro-7-methoxy-4-propan-2-yloxy-2-pyrazol-1-ylquinoline;4-[8-chloro-7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-oxazol-2-amine;4-(8-chloro-4-propan-2-yloxy-7-propoxyquinolin-2-yl)-N-propan-2-yl-1,3-oxazol-2-amine;1-[7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine.

Molecular Properties

Compound Name8-chloro-7-methoxy-4-propan-2-yloxy-2-pyrazol-1-ylquinoline;4-[8-chloro-7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-oxazol-2-amine;4-(8-chloro-4-propan-2-yloxy-7-propoxyquinolin-2-yl)-N-propan-2-yl-1,3-oxazol-2-amine;1-[7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine
PubChem CID157098093
Molecular FormulaC85H106Cl3N15O12
Molecular Weight1636.23 g/mol
Exact Mass1633.72
IUPAC Name8-chloro-7-methoxy-4-propan-2-yloxy-2-pyrazol-1-ylquinoline;4-[8-chloro-7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-oxazol-2-amine;4-(8-chloro-4-propan-2-yloxy-7-propoxyquinolin-2-yl)-N-propan-2-yl-1,3-oxazol-2-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.CC(C)Nc1nc(-c2cc(OC(C)C)c3ccc(OCCN4CCOCC4)c(Cl)c3n2)co1.CCCOc1ccc2c(OC(C)C)cc(-c3coc(NC(C)C)n3)nc2c1Cl.COc1ccc2c(OC(C)C)cc(-n3cccn3)nc2c1Cl
InChIInChI=1S/C24H31ClN4O4.C24H33N5O3.C21H26ClN3O3.C16H16ClN3O2/c1-15(2)26-24-28-19(14-32-24)18-13-21(33-16(3)4)17-5-6-20(22(25)23(17)27-18)31-12-9-29-7-10-30-11-8-29;1-17(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;1-6-9-26-17-8-7-14-18(28-13(4)5)10-15(24-20(14)19(17)22)16-11-27-21(25-16)23-12(2)3;1-10(2)22-13-9-14(20-8-4-7-18-20)19-16-11(13)5-6-12(21-3)15(16)17/h5-6,13-16H,7-12H2,1-4H3,(H,26,28);5-8,15-18H,9-14H2,1-4H3,(H,25,27);7-8,10-13H,6,9H2,1-5H3,(H,23,25);4-10H,1-3H3
InChIKeyAFLCPWOJLHNTOC-UHFFFAOYSA-N
XLogP18.41
TPSA274.13 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds30
Heavy Atoms115
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001636.23
LogP ≤ 518.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

Analyze 8-chloro-7-methoxy-4-propan-2-yloxy-2-pyrazol-1-ylquinoline;4-[8-chloro-7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-oxazol-2-amine;4-(8-chloro-4-propan-2-yloxy-7-propoxyquinolin-2-yl)-N-propan-2-yl-1,3-oxazol-2-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 8-chloro-7-methoxy-4-propan-2-yloxy-2-pyrazol-1-ylquinoline;4-[8-chloro-7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-oxazol-2-amine;4-(8-chloro-4-propan-2-yloxy-7-propoxyquinolin-2-yl)-N-propan-2-yl-1,3-oxazol-2-amine;1-[7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine?
The IUPAC name of 8-chloro-7-methoxy-4-propan-2-yloxy-2-pyrazol-1-ylquinoline;4-[8-chloro-7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-oxazol-2-amine;4-(8-chloro-4-propan-2-yloxy-7-propoxyquinolin-2-yl)-N-propan-2-yl-1,3-oxazol-2-amine;1-[7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine (CID 157098093) is 8-chloro-7-methoxy-4-propan-2-yloxy-2-pyrazol-1-ylquinoline;4-[8-chloro-7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-oxazol-2-amine;4-(8-chloro-4-propan-2-yloxy-7-propoxyquinolin-2-yl)-N-propan-2-yl-1,3-oxazol-2-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 8-chloro-7-methoxy-4-propan-2-yloxy-2-pyrazol-1-ylquinoline;4-[8-chloro-7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-oxazol-2-amine;4-(8-chloro-4-propan-2-yloxy-7-propoxyquinolin-2-yl)-N-propan-2-yl-1,3-oxazol-2-amine;1-[7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine?
The canonical SMILES for 8-chloro-7-methoxy-4-propan-2-yloxy-2-pyrazol-1-ylquinoline;4-[8-chloro-7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-oxazol-2-amine;4-(8-chloro-4-propan-2-yloxy-7-propoxyquinolin-2-yl)-N-propan-2-yl-1,3-oxazol-2-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.CC(C)Nc1nc(-c2cc(OC(C)C)c3ccc(OCCN4CCOCC4)c(Cl)c3n2)co1.CCCOc1ccc2c(OC(C)C)cc(-c3coc(NC(C)C)n3)nc2c1Cl.COc1ccc2c(OC(C)C)cc(-n3cccn3)nc2c1Cl.
What is the InChIKey of 8-chloro-7-methoxy-4-propan-2-yloxy-2-pyrazol-1-ylquinoline;4-[8-chloro-7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-oxazol-2-amine;4-(8-chloro-4-propan-2-yloxy-7-propoxyquinolin-2-yl)-N-propan-2-yl-1,3-oxazol-2-amine;1-[7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine?
The InChIKey is AFLCPWOJLHNTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN4O4.C24H33N5O3.C21H26ClN3O3.C16H16ClN3O2/c1-15(2)26-24-28-19(14-32-24)18-13-21(33-16(3)4)17-5-6-20(22(25)23(17)27-18)31-12-9-29-7-10-30-11-8-29;1-17(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;1-6-9-26-17-8-7-14-18(28-13(4)5)10-15(24-20(14)19(17)22)16-11-27-21(25-16)23-12(2)3;1-10(2)22-13-9-14(20-8-4-7-18-20)19-16-11(13)5-6-12(21-3)15(16)17/h5-6,13-16H,7-12H2,1-4H3,(H,26,28);5-8,15-18H,9-14H2,1-4H3,(H,25,27);7-8,10-13H,6,9H2,1-5H3,(H,23,25);4-10H,1-3H3.
What are the key properties of 8-chloro-7-methoxy-4-propan-2-yloxy-2-pyrazol-1-ylquinoline;4-[8-chloro-7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-oxazol-2-amine;4-(8-chloro-4-propan-2-yloxy-7-propoxyquinolin-2-yl)-N-propan-2-yl-1,3-oxazol-2-amine;1-[7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine?
8-chloro-7-methoxy-4-propan-2-yloxy-2-pyrazol-1-ylquinoline;4-[8-chloro-7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-oxazol-2-amine;4-(8-chloro-4-propan-2-yloxy-7-propoxyquinolin-2-yl)-N-propan-2-yl-1,3-oxazol-2-amine;1-[7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine has a molecular weight of 1636.23 g/mol, XLogP of 18.41, 30 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-methoxy-4-propan-2-yloxy-2-pyrazol-1-ylquinoline;4-[8-chloro-7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-oxazol-2-amine;4-(8-chloro-4-propan-2-yloxy-7-propoxyquinolin-2-yl)-N-propan-2-yl-1,3-oxazol-2-amine;1-[7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine is sourced from PubChem (CID 157098093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).