2-tert-butyl-1-benzothiophene;6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;bis(2-tert-butylnaphthalene);2-tert-butyl-1,8-naphthyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;3-(2,2-dimethylpropyl)-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidine

C206H254Cl2N18O3S — CID 158792558

About 2-tert-butyl-1-benzothiophene;6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;bis(2-tert-butylnaphthalene);2-tert-butyl-1,8-naphthyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;3-(2,2-dimethylpropyl)-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidine

2-tert-butyl-1-benzothiophene;6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;bis(2-tert-butylnaphthalene);2-tert-butyl-1,8-naphthyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;3-(2,2-dimethylpropyl)-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidine (PubChem CID 158792558) has the molecular formula C206H254Cl2N18O3S and a molecular weight of 3133.39 g/mol. Its IUPAC name is 2-tert-butyl-1-benzothiophene;6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;bis(2-tert-butylnaphthalene);2-tert-butyl-1,8-naphthyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;3-(2,2-dimethylpropyl)-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidine.

Molecular Properties

• Compound Name: 2-tert-butyl-1-benzothiophene;6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;bis(2-tert-butylnaphthalene);2-tert-butyl-1,8-naphthyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;3-(2,2-dimethylpropyl)-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidine
• PubChem CID: 158792558
• Molecular Formula: C206H254Cl2N18O3S
• Molecular Weight: 3133.39 g/mol
• Exact Mass: 3129.94
• IUPAC Name: 2-tert-butyl-1-benzothiophene;6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;bis(2-tert-butylnaphthalene);2-tert-butyl-1,8-naphthyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;3-(2,2-dimethylpropyl)-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidine
• SMILES: C=C(OC(C)(C)C)N1CC(CC(C)(C)C)C1.CC(C)(C)c1c[nH]c2ncccc12.CC(C)(C)c1c[nH]c2ncncc12.CC(C)(C)c1cc2ccccc2s1.CC(C)(C)c1cc2cccnc2[nH]1.CC(C)(C)c1ccc2[nH]ccc(=O)c2c1.CC(C)(C)c1ccc2c(=O)cc[nH]c2c1.CC(C)(C)c1ccc2c(Cl)ccnc2c1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2cccnc2n1.CC(C)(C)c1ccc2nccc(Cl)c2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1cnc2ccccc2c1.CC(C)Cc1cc(C(C)(C)C)c2ccccc2n1
• InChI: InChI=1S/C17H23N.C14H27NO.2C14H16.2C13H14ClN.2C13H15NO.3C13H15N.C12H14N2.C12H14S.2C11H14N2.C10H13N3/c1-12(2)10-13-11-15(17(3,4)5)14-8-6-7-9-16(14)18-13;1-11(16-14(5,6)7)15-9-12(10-15)8-13(2,3)4;2*1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)9-4-5-12-10(8-9)11(14)6-7-15-12;1-13(2,3)9-4-5-10-11(14)6-7-15-12(10)8-9;1-13(2,3)9-4-5-11-10(8-9)12(15)6-7-14-11;1-13(2,3)9-4-5-10-11(8-9)14-7-6-12(10)15;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-12(2,3)10-7-6-9-5-4-8-13-11(9)14-10;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)9-7-13-10-8(9)5-4-6-12-10;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;1-10(2,3)8-5-12-9-7(8)4-11-6-13-9/h6-9,11-12H,10H2,1-5H3;12H,1,8-10H2,2-7H3;2*4-10H,1-3H3;2*4-8H,1-3H3;2*4-8H,1-3H3,(H,14,15);3*4-9H,1-3H3;4-8H,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3,(H,12,13);4-6H,1-3H3,(H,11,12,13)
• InChIKey: ISLOIRTUVBUDTL-UHFFFAOYSA-N
• XLogP: 56.37
• TPSA: 280.24 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 5
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3133.39
LogP ≤ 5	56.37
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-benzothiophene;6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;bis(2-tert-butylnaphthalene);2-tert-butyl-1,8-naphthyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;3-(2,2-dimethylpropyl)-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidine?

The IUPAC name of 2-tert-butyl-1-benzothiophene;6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;bis(2-tert-butylnaphthalene);2-tert-butyl-1,8-naphthyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;3-(2,2-dimethylpropyl)-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidine (CID 158792558) is 2-tert-butyl-1-benzothiophene;6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;bis(2-tert-butylnaphthalene);2-tert-butyl-1,8-naphthyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;3-(2,2-dimethylpropyl)-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidine.

What is the SMILES notation for 2-tert-butyl-1-benzothiophene;6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;bis(2-tert-butylnaphthalene);2-tert-butyl-1,8-naphthyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;3-(2,2-dimethylpropyl)-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidine?

The canonical SMILES for 2-tert-butyl-1-benzothiophene;6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;bis(2-tert-butylnaphthalene);2-tert-butyl-1,8-naphthyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;3-(2,2-dimethylpropyl)-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidine is C=C(OC(C)(C)C)N1CC(CC(C)(C)C)C1.CC(C)(C)c1c[nH]c2ncccc12.CC(C)(C)c1c[nH]c2ncncc12.CC(C)(C)c1cc2ccccc2s1.CC(C)(C)c1cc2cccnc2[nH]1.CC(C)(C)c1ccc2[nH]ccc(=O)c2c1.CC(C)(C)c1ccc2c(=O)cc[nH]c2c1.CC(C)(C)c1ccc2c(Cl)ccnc2c1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2cccnc2n1.CC(C)(C)c1ccc2nccc(Cl)c2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1cnc2ccccc2c1.CC(C)Cc1cc(C(C)(C)C)c2ccccc2n1.

What is the InChIKey of 2-tert-butyl-1-benzothiophene;6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;bis(2-tert-butylnaphthalene);2-tert-butyl-1,8-naphthyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;3-(2,2-dimethylpropyl)-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidine?

The InChIKey is ISLOIRTUVBUDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N.C14H27NO.2C14H16.2C13H14ClN.2C13H15NO.3C13H15N.C12H14N2.C12H14S.2C11H14N2.C10H13N3/c1-12(2)10-13-11-15(17(3,4)5)14-8-6-7-9-16(14)18-13;1-11(16-14(5,6)7)15-9-12(10-15)8-13(2,3)4;2*1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)9-4-5-12-10(8-9)11(14)6-7-15-12;1-13(2,3)9-4-5-10-11(14)6-7-15-12(10)8-9;1-13(2,3)9-4-5-11-10(8-9)12(15)6-7-14-11;1-13(2,3)9-4-5-10-11(8-9)14-7-6-12(10)15;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-12(2,3)10-7-6-9-5-4-8-13-11(9)14-10;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)9-7-13-10-8(9)5-4-6-12-10;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;1-10(2,3)8-5-12-9-7(8)4-11-6-13-9/h6-9,11-12H,10H2,1-5H3;12H,1,8-10H2,2-7H3;2*4-10H,1-3H3;2*4-8H,1-3H3;2*4-8H,1-3H3,(H,14,15);3*4-9H,1-3H3;4-8H,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3,(H,12,13);4-6H,1-3H3,(H,11,12,13).

What are the key properties of 2-tert-butyl-1-benzothiophene;6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;bis(2-tert-butylnaphthalene);2-tert-butyl-1,8-naphthyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;3-(2,2-dimethylpropyl)-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidine?

2-tert-butyl-1-benzothiophene;6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;bis(2-tert-butylnaphthalene);2-tert-butyl-1,8-naphthyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;3-(2,2-dimethylpropyl)-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidine has a molecular weight of 3133.39 g/mol, XLogP of 56.37, 5 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-1-benzothiophene;6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;bis(2-tert-butylnaphthalene);2-tert-butyl-1,8-naphthyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;3-(2,2-dimethylpropyl)-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidine is sourced from PubChem (CID 158792558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).