7-(2-amino-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-(2-hydroxy-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-methyl-2-(6-methylpyrazin-2-yl)-1H-quinolin-4-one;7-methyl-2-(4-methylpyrimidin-2-yl)-1H-quinolin-4-one;tetrakis(2-methylpropane)

C84H113N13O7S2 — CID 159473474

About 7-(2-amino-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-(2-hydroxy-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-methyl-2-(6-methylpyrazin-2-yl)-1H-quinolin-4-one;7-methyl-2-(4-methylpyrimidin-2-yl)-1H-quinolin-4-one;tetrakis(2-methylpropane)

7-(2-amino-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-(2-hydroxy-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-methyl-2-(6-methylpyrazin-2-yl)-1H-quinolin-4-one;7-methyl-2-(4-methylpyrimidin-2-yl)-1H-quinolin-4-one;tetrakis(2-methylpropane) (PubChem CID 159473474) has the molecular formula C84H113N13O7S2 and a molecular weight of 1481.05 g/mol. Its IUPAC name is 7-(2-amino-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-(2-hydroxy-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-methyl-2-(6-methylpyrazin-2-yl)-1H-quinolin-4-one;7-methyl-2-(4-methylpyrimidin-2-yl)-1H-quinolin-4-one;tetrakis(2-methylpropane).

Molecular Properties

• Compound Name: 7-(2-amino-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-(2-hydroxy-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-methyl-2-(6-methylpyrazin-2-yl)-1H-quinolin-4-one;7-methyl-2-(4-methylpyrimidin-2-yl)-1H-quinolin-4-one;tetrakis(2-methylpropane)
• PubChem CID: 159473474
• Molecular Formula: C84H113N13O7S2
• Molecular Weight: 1481.05 g/mol
• Exact Mass: 1479.83
• IUPAC Name: 7-(2-amino-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-(2-hydroxy-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-methyl-2-(6-methylpyrazin-2-yl)-1H-quinolin-4-one;7-methyl-2-(4-methylpyrimidin-2-yl)-1H-quinolin-4-one;tetrakis(2-methylpropane)
• SMILES: CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)Nc1nc(-c2cc(=O)c3ccc(OCC(C)(C)N)cc3[nH]2)cs1.CC(C)Nc1nc(-c2cc(=O)c3ccc(OCC(C)(C)O)cc3[nH]2)cs1.Cc1ccc2c(=O)cc(-c3cncc(C)n3)[nH]c2c1.Cc1ccc2c(=O)cc(-c3nccc(C)n3)[nH]c2c1
• InChI: InChI=1S/C19H24N4O2S.C19H23N3O3S.2C15H13N3O.4C4H10/c1-11(2)21-18-23-16(9-26-18)15-8-17(24)13-6-5-12(7-14(13)22-15)25-10-19(3,4)20;1-11(2)20-18-22-16(9-26-18)15-8-17(23)13-6-5-12(7-14(13)21-15)25-10-19(3,4)24;1-9-3-4-11-12(5-9)18-13(6-15(11)19)14-8-16-7-10(2)17-14;1-9-3-4-11-12(7-9)18-13(8-14(11)19)15-16-6-5-10(2)17-15;4*1-4(2)3/h5-9,11H,10,20H2,1-4H3,(H,21,23)(H,22,24);5-9,11,24H,10H2,1-4H3,(H,20,22)(H,21,23);2*3-8H,1-2H3,(H,18,19);4*4H,1-3H3
• InChIKey: LWBWDRRVAKVAAH-UHFFFAOYSA-N
• XLogP: 19.06
• TPSA: 297.55 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1481.05
LogP ≤ 5	19.06
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 7-(2-amino-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-(2-hydroxy-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-methyl-2-(6-methylpyrazin-2-yl)-1H-quinolin-4-one;7-methyl-2-(4-methylpyrimidin-2-yl)-1H-quinolin-4-one;tetrakis(2-methylpropane)?

The IUPAC name of 7-(2-amino-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-(2-hydroxy-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-methyl-2-(6-methylpyrazin-2-yl)-1H-quinolin-4-one;7-methyl-2-(4-methylpyrimidin-2-yl)-1H-quinolin-4-one;tetrakis(2-methylpropane) (CID 159473474) is 7-(2-amino-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-(2-hydroxy-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-methyl-2-(6-methylpyrazin-2-yl)-1H-quinolin-4-one;7-methyl-2-(4-methylpyrimidin-2-yl)-1H-quinolin-4-one;tetrakis(2-methylpropane).

What is the SMILES notation for 7-(2-amino-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-(2-hydroxy-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-methyl-2-(6-methylpyrazin-2-yl)-1H-quinolin-4-one;7-methyl-2-(4-methylpyrimidin-2-yl)-1H-quinolin-4-one;tetrakis(2-methylpropane)?

The canonical SMILES for 7-(2-amino-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-(2-hydroxy-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-methyl-2-(6-methylpyrazin-2-yl)-1H-quinolin-4-one;7-methyl-2-(4-methylpyrimidin-2-yl)-1H-quinolin-4-one;tetrakis(2-methylpropane) is CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)Nc1nc(-c2cc(=O)c3ccc(OCC(C)(C)N)cc3[nH]2)cs1.CC(C)Nc1nc(-c2cc(=O)c3ccc(OCC(C)(C)O)cc3[nH]2)cs1.Cc1ccc2c(=O)cc(-c3cncc(C)n3)[nH]c2c1.Cc1ccc2c(=O)cc(-c3nccc(C)n3)[nH]c2c1.

What is the InChIKey of 7-(2-amino-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-(2-hydroxy-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-methyl-2-(6-methylpyrazin-2-yl)-1H-quinolin-4-one;7-methyl-2-(4-methylpyrimidin-2-yl)-1H-quinolin-4-one;tetrakis(2-methylpropane)?

The InChIKey is LWBWDRRVAKVAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S.C19H23N3O3S.2C15H13N3O.4C4H10/c1-11(2)21-18-23-16(9-26-18)15-8-17(24)13-6-5-12(7-14(13)22-15)25-10-19(3,4)20;1-11(2)20-18-22-16(9-26-18)15-8-17(23)13-6-5-12(7-14(13)21-15)25-10-19(3,4)24;1-9-3-4-11-12(5-9)18-13(6-15(11)19)14-8-16-7-10(2)17-14;1-9-3-4-11-12(7-9)18-13(8-14(11)19)15-16-6-5-10(2)17-15;4*1-4(2)3/h5-9,11H,10,20H2,1-4H3,(H,21,23)(H,22,24);5-9,11,24H,10H2,1-4H3,(H,20,22)(H,21,23);2*3-8H,1-2H3,(H,18,19);4*4H,1-3H3.

What are the key properties of 7-(2-amino-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-(2-hydroxy-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-methyl-2-(6-methylpyrazin-2-yl)-1H-quinolin-4-one;7-methyl-2-(4-methylpyrimidin-2-yl)-1H-quinolin-4-one;tetrakis(2-methylpropane)?

7-(2-amino-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-(2-hydroxy-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-methyl-2-(6-methylpyrazin-2-yl)-1H-quinolin-4-one;7-methyl-2-(4-methylpyrimidin-2-yl)-1H-quinolin-4-one;tetrakis(2-methylpropane) has a molecular weight of 1481.05 g/mol, XLogP of 19.06, 14 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-amino-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-(2-hydroxy-2-methylpropoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-4-one;7-methyl-2-(6-methylpyrazin-2-yl)-1H-quinolin-4-one;7-methyl-2-(4-methylpyrimidin-2-yl)-1H-quinolin-4-one;tetrakis(2-methylpropane) is sourced from PubChem (CID 159473474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).