4-[7-methoxy-8-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;6-methoxy-1-[(2-methylpropan-2-yl)oxy]naphthalene

C36H45N3O4S — CID 162221617

About 4-[7-methoxy-8-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;6-methoxy-1-[(2-methylpropan-2-yl)oxy]naphthalene

4-[7-methoxy-8-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;6-methoxy-1-[(2-methylpropan-2-yl)oxy]naphthalene (PubChem CID 162221617) has the molecular formula C36H45N3O4S and a molecular weight of 615.84 g/mol. Its IUPAC name is 4-[7-methoxy-8-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;6-methoxy-1-[(2-methylpropan-2-yl)oxy]naphthalene.

Molecular Properties

• Compound Name: 4-[7-methoxy-8-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;6-methoxy-1-[(2-methylpropan-2-yl)oxy]naphthalene
• PubChem CID: 162221617
• Molecular Formula: C36H45N3O4S
• Molecular Weight: 615.84 g/mol
• Exact Mass: 615.31
• IUPAC Name: 4-[7-methoxy-8-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;6-methoxy-1-[(2-methylpropan-2-yl)oxy]naphthalene
• SMILES: COc1ccc2c(OC(C)(C)C)cc(-c3csc(NC(C)C)n3)nc2c1C.COc1ccc2c(OC(C)(C)C)cccc2c1
• InChI: InChI=1S/C21H27N3O2S.C15H18O2/c1-12(2)22-20-24-16(11-27-20)15-10-18(26-21(4,5)6)14-8-9-17(25-7)13(3)19(14)23-15;1-15(2,3)17-14-7-5-6-11-10-12(16-4)8-9-13(11)14/h8-12H,1-7H3,(H,22,24);5-10H,1-4H3
• InChIKey: ZUEWGURHHDTJNQ-UHFFFAOYSA-N
• XLogP: 9.70
• TPSA: 74.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	615.84
LogP ≤ 5	9.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[7-methoxy-8-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;6-methoxy-1-[(2-methylpropan-2-yl)oxy]naphthalene?

The IUPAC name of 4-[7-methoxy-8-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;6-methoxy-1-[(2-methylpropan-2-yl)oxy]naphthalene (CID 162221617) is 4-[7-methoxy-8-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;6-methoxy-1-[(2-methylpropan-2-yl)oxy]naphthalene.

What is the SMILES notation for 4-[7-methoxy-8-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;6-methoxy-1-[(2-methylpropan-2-yl)oxy]naphthalene?

The canonical SMILES for 4-[7-methoxy-8-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;6-methoxy-1-[(2-methylpropan-2-yl)oxy]naphthalene is COc1ccc2c(OC(C)(C)C)cc(-c3csc(NC(C)C)n3)nc2c1C.COc1ccc2c(OC(C)(C)C)cccc2c1.

What is the InChIKey of 4-[7-methoxy-8-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;6-methoxy-1-[(2-methylpropan-2-yl)oxy]naphthalene?

The InChIKey is ZUEWGURHHDTJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S.C15H18O2/c1-12(2)22-20-24-16(11-27-20)15-10-18(26-21(4,5)6)14-8-9-17(25-7)13(3)19(14)23-15;1-15(2,3)17-14-7-5-6-11-10-12(16-4)8-9-13(11)14/h8-12H,1-7H3,(H,22,24);5-10H,1-4H3.

What are the key properties of 4-[7-methoxy-8-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;6-methoxy-1-[(2-methylpropan-2-yl)oxy]naphthalene?

4-[7-methoxy-8-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;6-methoxy-1-[(2-methylpropan-2-yl)oxy]naphthalene has a molecular weight of 615.84 g/mol, XLogP of 9.70, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[7-methoxy-8-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;6-methoxy-1-[(2-methylpropan-2-yl)oxy]naphthalene is sourced from PubChem (CID 162221617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).