3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(1-methylpyrazol-4-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(2-methylpyrazol-3-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(5-methyl-1H-pyrazol-4-yl)thiophen-3-yl]methanone;tris(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone)

C143H181N23O9S8 — CID 157339189

About 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(1-methylpyrazol-4-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(2-methylpyrazol-3-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(5-methyl-1H-pyrazol-4-yl)thiophen-3-yl]methanone;tris(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone)

3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(1-methylpyrazol-4-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(2-methylpyrazol-3-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(5-methyl-1H-pyrazol-4-yl)thiophen-3-yl]methanone;tris(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone) (PubChem CID 157339189) has the molecular formula C143H181N23O9S8 and a molecular weight of 2622.71 g/mol. Its IUPAC name is 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(1-methylpyrazol-4-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(2-methylpyrazol-3-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(5-methyl-1H-pyrazol-4-yl)thiophen-3-yl]methanone;tris(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone).

Molecular Properties

• Compound Name: 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(1-methylpyrazol-4-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(2-methylpyrazol-3-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(5-methyl-1H-pyrazol-4-yl)thiophen-3-yl]methanone;tris(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone)
• PubChem CID: 157339189
• Molecular Formula: C143H181N23O9S8
• Molecular Weight: 2622.71 g/mol
• Exact Mass: 2620.22
• IUPAC Name: 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(1-methylpyrazol-4-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(2-methylpyrazol-3-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(5-methyl-1H-pyrazol-4-yl)thiophen-3-yl]methanone;tris(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone)
• SMILES: Cc1[nH]ncc1-c1cc(C(=O)N2CCCC3CCCCC32)cs1.Cc1n[nH]c(C)c1-c1cc(C(=O)N2CCCC3CCCCC32)cs1.Cc1noc(C)c1-c1cc(C(=O)N2CCCC3CCCCC32)cs1.Cn1cc(-c2cc(C(=O)N3CCCC4CCCCC43)cs2)cn1.Cn1nccc1-c1cc(C(=O)N2CCCC3CCCCC32)cs1.O=C(c1csc(-c2cn[nH]c2)c1)N1CCCC2CCCCC21.O=C(c1csc(-c2cn[nH]c2)c1)N1CCCC2CCCCC21.O=C(c1csc(-c2cn[nH]c2)c1)N1CCCC2CCCCC21
• InChI: InChI=1S/C19H25N3OS.C19H24N2O2S.3C18H23N3OS.3C17H21N3OS/c1-12-18(13(2)21-20-12)17-10-15(11-24-17)19(23)22-9-5-7-14-6-3-4-8-16(14)22;1-12-18(13(2)23-20-12)17-10-15(11-24-17)19(22)21-9-5-7-14-6-3-4-8-16(14)21;1-20-16(8-9-19-20)17-11-14(12-23-17)18(22)21-10-4-6-13-5-2-3-7-15(13)21;1-20-11-15(10-19-20)17-9-14(12-23-17)18(22)21-8-4-6-13-5-2-3-7-16(13)21;1-12-15(10-19-20-12)17-9-14(11-23-17)18(22)21-8-4-6-13-5-2-3-7-16(13)21;3*21-17(13-8-16(22-11-13)14-9-18-19-10-14)20-7-3-5-12-4-1-2-6-15(12)20/h10-11,14,16H,3-9H2,1-2H3,(H,20,21);10-11,14,16H,3-9H2,1-2H3;8-9,11-13,15H,2-7,10H2,1H3;9-13,16H,2-8H2,1H3;9-11,13,16H,2-8H2,1H3,(H,19,20);3*8-12,15H,1-7H2,(H,18,19)
• InChIKey: BGESSXQLQUVDAF-UHFFFAOYSA-N
• XLogP: 33.29
• TPSA: 367.55 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 16
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2622.71
LogP ≤ 5	33.29
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(1-methylpyrazol-4-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(2-methylpyrazol-3-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(5-methyl-1H-pyrazol-4-yl)thiophen-3-yl]methanone;tris(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone)?

The IUPAC name of 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(1-methylpyrazol-4-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(2-methylpyrazol-3-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(5-methyl-1H-pyrazol-4-yl)thiophen-3-yl]methanone;tris(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone) (CID 157339189) is 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(1-methylpyrazol-4-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(2-methylpyrazol-3-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(5-methyl-1H-pyrazol-4-yl)thiophen-3-yl]methanone;tris(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone).

What is the SMILES notation for 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(1-methylpyrazol-4-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(2-methylpyrazol-3-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(5-methyl-1H-pyrazol-4-yl)thiophen-3-yl]methanone;tris(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone)?

The canonical SMILES for 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(1-methylpyrazol-4-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(2-methylpyrazol-3-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(5-methyl-1H-pyrazol-4-yl)thiophen-3-yl]methanone;tris(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone) is Cc1[nH]ncc1-c1cc(C(=O)N2CCCC3CCCCC32)cs1.Cc1n[nH]c(C)c1-c1cc(C(=O)N2CCCC3CCCCC32)cs1.Cc1noc(C)c1-c1cc(C(=O)N2CCCC3CCCCC32)cs1.Cn1cc(-c2cc(C(=O)N3CCCC4CCCCC43)cs2)cn1.Cn1nccc1-c1cc(C(=O)N2CCCC3CCCCC32)cs1.O=C(c1csc(-c2cn[nH]c2)c1)N1CCCC2CCCCC21.O=C(c1csc(-c2cn[nH]c2)c1)N1CCCC2CCCCC21.O=C(c1csc(-c2cn[nH]c2)c1)N1CCCC2CCCCC21.

What is the InChIKey of 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(1-methylpyrazol-4-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(2-methylpyrazol-3-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(5-methyl-1H-pyrazol-4-yl)thiophen-3-yl]methanone;tris(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone)?

The InChIKey is BGESSXQLQUVDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS.C19H24N2O2S.3C18H23N3OS.3C17H21N3OS/c1-12-18(13(2)21-20-12)17-10-15(11-24-17)19(23)22-9-5-7-14-6-3-4-8-16(14)22;1-12-18(13(2)23-20-12)17-10-15(11-24-17)19(22)21-9-5-7-14-6-3-4-8-16(14)21;1-20-16(8-9-19-20)17-11-14(12-23-17)18(22)21-10-4-6-13-5-2-3-7-15(13)21;1-20-11-15(10-19-20)17-9-14(12-23-17)18(22)21-8-4-6-13-5-2-3-7-16(13)21;1-12-15(10-19-20-12)17-9-14(11-23-17)18(22)21-8-4-6-13-5-2-3-7-16(13)21;3*21-17(13-8-16(22-11-13)14-9-18-19-10-14)20-7-3-5-12-4-1-2-6-15(12)20/h10-11,14,16H,3-9H2,1-2H3,(H,20,21);10-11,14,16H,3-9H2,1-2H3;8-9,11-13,15H,2-7,10H2,1H3;9-13,16H,2-8H2,1H3;9-11,13,16H,2-8H2,1H3,(H,19,20);3*8-12,15H,1-7H2,(H,18,19).

What are the key properties of 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(1-methylpyrazol-4-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(2-methylpyrazol-3-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(5-methyl-1H-pyrazol-4-yl)thiophen-3-yl]methanone;tris(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone)?

3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(1-methylpyrazol-4-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(2-methylpyrazol-3-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(5-methyl-1H-pyrazol-4-yl)thiophen-3-yl]methanone;tris(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone) has a molecular weight of 2622.71 g/mol, XLogP of 33.29, 16 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(1-methylpyrazol-4-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(2-methylpyrazol-3-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(5-methyl-1H-pyrazol-4-yl)thiophen-3-yl]methanone;tris(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone) is sourced from PubChem (CID 157339189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).