2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylisoquinoline;4-tert-butyl-2-phenylquinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydro-7H-cyclopenta[h]quinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-ylquinoline;2-(4-tert-butylquinolin-2-yl)-4,5-dihydro-1,3-thiazole;4-(4-tert-butylquinolin-2-yl)-1,3-thiazole

C148H164N14OS2 — CID 157123871

About 2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylisoquinoline;4-tert-butyl-2-phenylquinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydro-7H-cyclopenta[h]quinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-ylquinoline;2-(4-tert-butylquinolin-2-yl)-4,5-dihydro-1,3-thiazole;4-(4-tert-butylquinolin-2-yl)-1,3-thiazole

2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylisoquinoline;4-tert-butyl-2-phenylquinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydro-7H-cyclopenta[h]quinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-ylquinoline;2-(4-tert-butylquinolin-2-yl)-4,5-dihydro-1,3-thiazole;4-(4-tert-butylquinolin-2-yl)-1,3-thiazole (PubChem CID 157123871) has the molecular formula C148H164N14OS2 and a molecular weight of 2219.17 g/mol. Its IUPAC name is 2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylisoquinoline;4-tert-butyl-2-phenylquinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydro-7H-cyclopenta[h]quinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-ylquinoline;2-(4-tert-butylquinolin-2-yl)-4,5-dihydro-1,3-thiazole;4-(4-tert-butylquinolin-2-yl)-1,3-thiazole.

Molecular Properties

• Compound Name: 2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylisoquinoline;4-tert-butyl-2-phenylquinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydro-7H-cyclopenta[h]quinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-ylquinoline;2-(4-tert-butylquinolin-2-yl)-4,5-dihydro-1,3-thiazole;4-(4-tert-butylquinolin-2-yl)-1,3-thiazole
• PubChem CID: 157123871
• Molecular Formula: C148H164N14OS2
• Molecular Weight: 2219.17 g/mol
• Exact Mass: 2217.27
• IUPAC Name: 2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylisoquinoline;4-tert-butyl-2-phenylquinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydro-7H-cyclopenta[h]quinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-ylquinoline;2-(4-tert-butylquinolin-2-yl)-4,5-dihydro-1,3-thiazole;4-(4-tert-butylquinolin-2-yl)-1,3-thiazole
• SMILES: CC(C)(C)N1CCc2ccccc2C1.CC(C)(C)N1Cc2ccccc2C1.CC(C)(C)c1cc(-c2ccccc2)nc2ccccc12.CC(C)(C)c1cc(-c2ccccn2)nc2c3c(ccc12)CCC3.CC(C)(C)c1cc(-c2ccccn2)nc2c3c(ccc12)OCC3.CC(C)(C)c1cc(-c2ccccn2)nc2ccccc12.CC(C)(C)c1cc(-c2cscn2)nc2ccccc12.CC(C)(C)c1cc(C2=NCCS2)nc2ccccc12.CC(C)(C)c1nccc2ccccc12
• InChI: InChI=1S/C21H22N2.C20H20N2O.C19H19N.C18H18N2.C16H16N2S.C16H18N2S.C13H19N.C13H15N.C12H17N/c1-21(2,3)17-13-19(18-9-4-5-12-22-18)23-20-15-8-6-7-14(15)10-11-16(17)20;1-20(2,3)15-12-17(16-6-4-5-10-21-16)22-19-13(15)7-8-18-14(19)9-11-23-18;1-19(2,3)16-13-18(14-9-5-4-6-10-14)20-17-12-8-7-11-15(16)17;1-18(2,3)14-12-17(16-10-6-7-11-19-16)20-15-9-5-4-8-13(14)15;1-16(2,3)12-8-14(15-9-19-10-17-15)18-13-7-5-4-6-11(12)13;1-16(2,3)12-10-14(15-17-8-9-19-15)18-13-7-5-4-6-11(12)13;1-13(2,3)14-9-8-11-6-4-5-7-12(11)10-14;1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-12(2,3)13-8-10-6-4-5-7-11(10)9-13/h4-5,9-13H,6-8H2,1-3H3;4-8,10,12H,9,11H2,1-3H3;4-13H,1-3H3;4-12H,1-3H3;4-10H,1-3H3;4-7,10H,8-9H2,1-3H3;4-7H,8-10H2,1-3H3;4-9H,1-3H3;4-7H,8-9H2,1-3H3
• InChIKey: AIHGBUDOOIYYMW-UHFFFAOYSA-N
• XLogP: 37.26
• TPSA: 169.86 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 6
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2219.17
LogP ≤ 5	37.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylisoquinoline;4-tert-butyl-2-phenylquinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydro-7H-cyclopenta[h]quinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-ylquinoline;2-(4-tert-butylquinolin-2-yl)-4,5-dihydro-1,3-thiazole;4-(4-tert-butylquinolin-2-yl)-1,3-thiazole?

The IUPAC name of 2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylisoquinoline;4-tert-butyl-2-phenylquinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydro-7H-cyclopenta[h]quinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-ylquinoline;2-(4-tert-butylquinolin-2-yl)-4,5-dihydro-1,3-thiazole;4-(4-tert-butylquinolin-2-yl)-1,3-thiazole (CID 157123871) is 2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylisoquinoline;4-tert-butyl-2-phenylquinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydro-7H-cyclopenta[h]quinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-ylquinoline;2-(4-tert-butylquinolin-2-yl)-4,5-dihydro-1,3-thiazole;4-(4-tert-butylquinolin-2-yl)-1,3-thiazole.

What is the SMILES notation for 2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylisoquinoline;4-tert-butyl-2-phenylquinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydro-7H-cyclopenta[h]quinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-ylquinoline;2-(4-tert-butylquinolin-2-yl)-4,5-dihydro-1,3-thiazole;4-(4-tert-butylquinolin-2-yl)-1,3-thiazole?

The canonical SMILES for 2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylisoquinoline;4-tert-butyl-2-phenylquinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydro-7H-cyclopenta[h]quinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-ylquinoline;2-(4-tert-butylquinolin-2-yl)-4,5-dihydro-1,3-thiazole;4-(4-tert-butylquinolin-2-yl)-1,3-thiazole is CC(C)(C)N1CCc2ccccc2C1.CC(C)(C)N1Cc2ccccc2C1.CC(C)(C)c1cc(-c2ccccc2)nc2ccccc12.CC(C)(C)c1cc(-c2ccccn2)nc2c3c(ccc12)CCC3.CC(C)(C)c1cc(-c2ccccn2)nc2c3c(ccc12)OCC3.CC(C)(C)c1cc(-c2ccccn2)nc2ccccc12.CC(C)(C)c1cc(-c2cscn2)nc2ccccc12.CC(C)(C)c1cc(C2=NCCS2)nc2ccccc12.CC(C)(C)c1nccc2ccccc12.

What is the InChIKey of 2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylisoquinoline;4-tert-butyl-2-phenylquinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydro-7H-cyclopenta[h]quinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-ylquinoline;2-(4-tert-butylquinolin-2-yl)-4,5-dihydro-1,3-thiazole;4-(4-tert-butylquinolin-2-yl)-1,3-thiazole?

The InChIKey is AIHGBUDOOIYYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2.C20H20N2O.C19H19N.C18H18N2.C16H16N2S.C16H18N2S.C13H19N.C13H15N.C12H17N/c1-21(2,3)17-13-19(18-9-4-5-12-22-18)23-20-15-8-6-7-14(15)10-11-16(17)20;1-20(2,3)15-12-17(16-6-4-5-10-21-16)22-19-13(15)7-8-18-14(19)9-11-23-18;1-19(2,3)16-13-18(14-9-5-4-6-10-14)20-17-12-8-7-11-15(16)17;1-18(2,3)14-12-17(16-10-6-7-11-19-16)20-15-9-5-4-8-13(14)15;1-16(2,3)12-8-14(15-9-19-10-17-15)18-13-7-5-4-6-11(12)13;1-16(2,3)12-10-14(15-17-8-9-19-15)18-13-7-5-4-6-11(12)13;1-13(2,3)14-9-8-11-6-4-5-7-12(11)10-14;1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-12(2,3)13-8-10-6-4-5-7-11(10)9-13/h4-5,9-13H,6-8H2,1-3H3;4-8,10,12H,9,11H2,1-3H3;4-13H,1-3H3;4-12H,1-3H3;4-10H,1-3H3;4-7,10H,8-9H2,1-3H3;4-7H,8-10H2,1-3H3;4-9H,1-3H3;4-7H,8-9H2,1-3H3.

What are the key properties of 2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylisoquinoline;4-tert-butyl-2-phenylquinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydro-7H-cyclopenta[h]quinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-ylquinoline;2-(4-tert-butylquinolin-2-yl)-4,5-dihydro-1,3-thiazole;4-(4-tert-butylquinolin-2-yl)-1,3-thiazole?

2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylisoquinoline;4-tert-butyl-2-phenylquinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydro-7H-cyclopenta[h]quinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-ylquinoline;2-(4-tert-butylquinolin-2-yl)-4,5-dihydro-1,3-thiazole;4-(4-tert-butylquinolin-2-yl)-1,3-thiazole has a molecular weight of 2219.17 g/mol, XLogP of 37.26, 6 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylisoquinoline;4-tert-butyl-2-phenylquinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydro-7H-cyclopenta[h]quinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-ylquinoline;2-(4-tert-butylquinolin-2-yl)-4,5-dihydro-1,3-thiazole;4-(4-tert-butylquinolin-2-yl)-1,3-thiazole is sourced from PubChem (CID 157123871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).