7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(6-methylpyrazin-2-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(4-methylpyrimidin-2-yl)quinoline;2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxypropan-2-ol;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(1-propan-2-ylpyrazol-3-yl)quinoline

C81H98N12O6S — CID 158181498

IUPAC7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(6-methylpyrazin-2-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(4-methylpyrimidin-2-yl)quinoline;2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxypropan-2-ol;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(1-propan-2-ylpyrazol-3-yl)quinoline
SMILESCC(C)Nc1nc(-c2cc(OC(C)(C)C)c3ccc(OCC(C)(C)O)cc3n2)cs1.Cc1ccc2c(OC(C)(C)C)cc(-c3ccn(C(C)C)n3)nc2c1.Cc1ccc2c(OC(C)(C)C)cc(-c3cncc(C)n3)nc2c1.Cc1ccc2c(OC(C)(C)C)cc(-c3nccc(C)n3)nc2c1
InChIInChI=1S/C23H31N3O3S.C20H25N3O.2C19H21N3O/c1-14(2)24-21-26-19(12-30-21)18-11-20(29-22(3,4)5)16-9-8-15(10-17(16)25-18)28-13-23(6,7)27;1-13(2)23-10-9-16(22-23)18-12-19(24-20(4,5)6)15-8-7-14(3)11-17(15)21-18;1-12-6-7-14-15(8-12)22-16(9-18(14)23-19(3,4)5)17-11-20-10-13(2)21-17;1-12-6-7-14-15(10-12)22-16(11-17(14)23-19(3,4)5)18-20-9-8-13(2)21-18/h8-12,14,27H,13H2,1-7H3,(H,24,26);7-13H,1-6H3;2*6-11H,1-5H3
InChIKeyFYQOREGFVZYEJT-UHFFFAOYSA-N
MW1367.82 g/mol
LogP19.64
Rot. Bonds14

About 7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(6-methylpyrazin-2-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(4-methylpyrimidin-2-yl)quinoline;2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxypropan-2-ol;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(1-propan-2-ylpyrazol-3-yl)quinoline

7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(6-methylpyrazin-2-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(4-methylpyrimidin-2-yl)quinoline;2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxypropan-2-ol;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(1-propan-2-ylpyrazol-3-yl)quinoline (PubChem CID 158181498) has the molecular formula C81H98N12O6S and a molecular weight of 1367.82 g/mol. Its IUPAC name is 7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(6-methylpyrazin-2-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(4-methylpyrimidin-2-yl)quinoline;2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxypropan-2-ol;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(1-propan-2-ylpyrazol-3-yl)quinoline.

Molecular Properties

Compound Name7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(6-methylpyrazin-2-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(4-methylpyrimidin-2-yl)quinoline;2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxypropan-2-ol;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(1-propan-2-ylpyrazol-3-yl)quinoline
PubChem CID158181498
Molecular FormulaC81H98N12O6S
Molecular Weight1367.82 g/mol
Exact Mass1366.75
IUPAC Name7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(6-methylpyrazin-2-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(4-methylpyrimidin-2-yl)quinoline;2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxypropan-2-ol;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(1-propan-2-ylpyrazol-3-yl)quinoline
SMILESCC(C)Nc1nc(-c2cc(OC(C)(C)C)c3ccc(OCC(C)(C)O)cc3n2)cs1.Cc1ccc2c(OC(C)(C)C)cc(-c3ccn(C(C)C)n3)nc2c1.Cc1ccc2c(OC(C)(C)C)cc(-c3cncc(C)n3)nc2c1.Cc1ccc2c(OC(C)(C)C)cc(-c3nccc(C)n3)nc2c1
InChIInChI=1S/C23H31N3O3S.C20H25N3O.2C19H21N3O/c1-14(2)24-21-26-19(12-30-21)18-11-20(29-22(3,4)5)16-9-8-15(10-17(16)25-18)28-13-23(6,7)27;1-13(2)23-10-9-16(22-23)18-12-19(24-20(4,5)6)15-8-7-14(3)11-17(15)21-18;1-12-6-7-14-15(8-12)22-16(9-18(14)23-19(3,4)5)17-11-20-10-13(2)21-17;1-12-6-7-14-15(10-12)22-16(11-17(14)23-19(3,4)5)18-20-9-8-13(2)21-18/h8-12,14,27H,13H2,1-7H3,(H,24,26);7-13H,1-6H3;2*6-11H,1-5H3
InChIKeyFYQOREGFVZYEJT-UHFFFAOYSA-N
XLogP19.64
TPSA212.24 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds14
Heavy Atoms100
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001367.82
LogP ≤ 519.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Analyze 7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(6-methylpyrazin-2-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(4-methylpyrimidin-2-yl)quinoline;2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxypropan-2-ol;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(1-propan-2-ylpyrazol-3-yl)quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(6-methylpyrazin-2-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(4-methylpyrimidin-2-yl)quinoline;2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxypropan-2-ol;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(1-propan-2-ylpyrazol-3-yl)quinoline?
The IUPAC name of 7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(6-methylpyrazin-2-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(4-methylpyrimidin-2-yl)quinoline;2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxypropan-2-ol;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(1-propan-2-ylpyrazol-3-yl)quinoline (CID 158181498) is 7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(6-methylpyrazin-2-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(4-methylpyrimidin-2-yl)quinoline;2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxypropan-2-ol;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(1-propan-2-ylpyrazol-3-yl)quinoline.
What is the SMILES notation for 7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(6-methylpyrazin-2-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(4-methylpyrimidin-2-yl)quinoline;2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxypropan-2-ol;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(1-propan-2-ylpyrazol-3-yl)quinoline?
The canonical SMILES for 7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(6-methylpyrazin-2-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(4-methylpyrimidin-2-yl)quinoline;2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxypropan-2-ol;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(1-propan-2-ylpyrazol-3-yl)quinoline is CC(C)Nc1nc(-c2cc(OC(C)(C)C)c3ccc(OCC(C)(C)O)cc3n2)cs1.Cc1ccc2c(OC(C)(C)C)cc(-c3ccn(C(C)C)n3)nc2c1.Cc1ccc2c(OC(C)(C)C)cc(-c3cncc(C)n3)nc2c1.Cc1ccc2c(OC(C)(C)C)cc(-c3nccc(C)n3)nc2c1.
What is the InChIKey of 7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(6-methylpyrazin-2-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(4-methylpyrimidin-2-yl)quinoline;2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxypropan-2-ol;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(1-propan-2-ylpyrazol-3-yl)quinoline?
The InChIKey is FYQOREGFVZYEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S.C20H25N3O.2C19H21N3O/c1-14(2)24-21-26-19(12-30-21)18-11-20(29-22(3,4)5)16-9-8-15(10-17(16)25-18)28-13-23(6,7)27;1-13(2)23-10-9-16(22-23)18-12-19(24-20(4,5)6)15-8-7-14(3)11-17(15)21-18;1-12-6-7-14-15(8-12)22-16(9-18(14)23-19(3,4)5)17-11-20-10-13(2)21-17;1-12-6-7-14-15(10-12)22-16(11-17(14)23-19(3,4)5)18-20-9-8-13(2)21-18/h8-12,14,27H,13H2,1-7H3,(H,24,26);7-13H,1-6H3;2*6-11H,1-5H3.
What are the key properties of 7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(6-methylpyrazin-2-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(4-methylpyrimidin-2-yl)quinoline;2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxypropan-2-ol;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(1-propan-2-ylpyrazol-3-yl)quinoline?
7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(6-methylpyrazin-2-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(4-methylpyrimidin-2-yl)quinoline;2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxypropan-2-ol;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(1-propan-2-ylpyrazol-3-yl)quinoline has a molecular weight of 1367.82 g/mol, XLogP of 19.64, 14 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(6-methylpyrazin-2-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(4-methylpyrimidin-2-yl)quinoline;2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxypropan-2-ol;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(1-propan-2-ylpyrazol-3-yl)quinoline is sourced from PubChem (CID 158181498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).