2-cyclobutyl-4-propan-2-yl-1,3-dihydroisoindole;2-cyclobutyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-ethyl-4-propan-2-yl-1,3-dihydroisoindole;2-ethyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-methyl-4-propan-2-ylindazole;2-methyl-4-propan-2-ylindazole;2-methyl-7-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydroisoindol-1-one;7-propan-2-yl-2,3-dihydroisoindol-1-one;1-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)propan-1-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline

C181H235N17O4S3 — CID 158410666

About 2-cyclobutyl-4-propan-2-yl-1,3-dihydroisoindole;2-cyclobutyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-ethyl-4-propan-2-yl-1,3-dihydroisoindole;2-ethyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-methyl-4-propan-2-ylindazole;2-methyl-4-propan-2-ylindazole;2-methyl-7-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydroisoindol-1-one;7-propan-2-yl-2,3-dihydroisoindol-1-one;1-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)propan-1-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline

2-cyclobutyl-4-propan-2-yl-1,3-dihydroisoindole;2-cyclobutyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-ethyl-4-propan-2-yl-1,3-dihydroisoindole;2-ethyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-methyl-4-propan-2-ylindazole;2-methyl-4-propan-2-ylindazole;2-methyl-7-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydroisoindol-1-one;7-propan-2-yl-2,3-dihydroisoindol-1-one;1-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)propan-1-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 158410666) has the molecular formula C181H235N17O4S3 and a molecular weight of 2809.19 g/mol. Its IUPAC name is 2-cyclobutyl-4-propan-2-yl-1,3-dihydroisoindole;2-cyclobutyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-ethyl-4-propan-2-yl-1,3-dihydroisoindole;2-ethyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-methyl-4-propan-2-ylindazole;2-methyl-4-propan-2-ylindazole;2-methyl-7-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydroisoindol-1-one;7-propan-2-yl-2,3-dihydroisoindol-1-one;1-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)propan-1-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

• Compound Name: 2-cyclobutyl-4-propan-2-yl-1,3-dihydroisoindole;2-cyclobutyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-ethyl-4-propan-2-yl-1,3-dihydroisoindole;2-ethyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-methyl-4-propan-2-ylindazole;2-methyl-4-propan-2-ylindazole;2-methyl-7-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydroisoindol-1-one;7-propan-2-yl-2,3-dihydroisoindol-1-one;1-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)propan-1-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
• PubChem CID: 158410666
• Molecular Formula: C181H235N17O4S3
• Molecular Weight: 2809.19 g/mol
• Exact Mass: 2806.79
• IUPAC Name: 2-cyclobutyl-4-propan-2-yl-1,3-dihydroisoindole;2-cyclobutyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-ethyl-4-propan-2-yl-1,3-dihydroisoindole;2-ethyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-methyl-4-propan-2-ylindazole;2-methyl-4-propan-2-ylindazole;2-methyl-7-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydroisoindol-1-one;7-propan-2-yl-2,3-dihydroisoindol-1-one;1-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)propan-1-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
• SMILES: CC(C)c1ccc2c(c1)CNCC2.CC(C)c1ccc2sccc2c1.CC(C)c1ccc2scnc2c1.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2c1C(=O)N(C)C2.CC(C)c1cccc2c1C(=O)NC2.CC(C)c1cccc2c1CCN(C1CCC1)C2.CC(C)c1cccc2c1CN(C1CCC1)C2.CC(C)c1cccc2c1CNC2=O.CC(C)c1cccc2c1cnn2C.CC(C)c1cccc2nn(C)cc12.CC(C)c1cccc2scnc12.CCC(=O)N1Cc2cccc(C(C)C)c2C1.CCN1CCc2ccc(C(C)C)cc2C1.CCN1Cc2cccc(C(C)C)c2C1
• InChI: InChI=1S/C16H23N.C15H21N.C14H19NO.C14H21N.C13H19N.C12H15NO.C12H17N.2C11H14N2.2C11H13NO.C11H12S.C10H12N2.2C10H11NS/c1-12(2)15-8-3-5-13-11-17(10-9-16(13)15)14-6-4-7-14;1-11(2)14-8-3-5-12-9-16(10-15(12)14)13-6-4-7-13;1-4-14(16)15-8-11-6-5-7-12(10(2)3)13(11)9-15;1-4-15-8-7-12-5-6-13(11(2)3)9-14(12)10-15;1-4-14-8-11-6-5-7-12(10(2)3)13(11)9-14;1-8(2)10-6-4-5-9-7-13(3)12(14)11(9)10;1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-8(2)9-5-4-6-11-10(9)7-13(3)12-11;1-8(2)9-5-4-6-11-10(9)7-12-13(11)3;1-7(2)8-4-3-5-9-10(8)6-12-11(9)13;1-7(2)9-5-3-4-8-6-12-11(13)10(8)9;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-7(2)8-4-3-5-9-10(8)11-6-12-9/h3,5,8,12,14H,4,6-7,9-11H2,1-2H3;3,5,8,11,13H,4,6-7,9-10H2,1-2H3;5-7,10H,4,8-9H2,1-3H3;5-6,9,11H,4,7-8,10H2,1-3H3;5-7,10H,4,8-9H2,1-3H3;4-6,8H,7H2,1-3H3;3-4,7,9,13H,5-6,8H2,1-2H3;2*4-8H,1-3H3;2*3-5,7H,6H2,1-2H3,(H,12,13);3-8H,1-2H3;3-7H,1-2H3,(H,11,12);2*3-7H,1-2H3
• InChIKey: GZGQKQZYZCTLGC-UHFFFAOYSA-N
• XLogP: 44.70
• TPSA: 213.91 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 20
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2809.19
LogP ≤ 5	44.70
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-4-propan-2-yl-1,3-dihydroisoindole;2-cyclobutyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-ethyl-4-propan-2-yl-1,3-dihydroisoindole;2-ethyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-methyl-4-propan-2-ylindazole;2-methyl-4-propan-2-ylindazole;2-methyl-7-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydroisoindol-1-one;7-propan-2-yl-2,3-dihydroisoindol-1-one;1-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)propan-1-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?

The IUPAC name of 2-cyclobutyl-4-propan-2-yl-1,3-dihydroisoindole;2-cyclobutyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-ethyl-4-propan-2-yl-1,3-dihydroisoindole;2-ethyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-methyl-4-propan-2-ylindazole;2-methyl-4-propan-2-ylindazole;2-methyl-7-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydroisoindol-1-one;7-propan-2-yl-2,3-dihydroisoindol-1-one;1-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)propan-1-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline (CID 158410666) is 2-cyclobutyl-4-propan-2-yl-1,3-dihydroisoindole;2-cyclobutyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-ethyl-4-propan-2-yl-1,3-dihydroisoindole;2-ethyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-methyl-4-propan-2-ylindazole;2-methyl-4-propan-2-ylindazole;2-methyl-7-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydroisoindol-1-one;7-propan-2-yl-2,3-dihydroisoindol-1-one;1-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)propan-1-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline.

What is the SMILES notation for 2-cyclobutyl-4-propan-2-yl-1,3-dihydroisoindole;2-cyclobutyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-ethyl-4-propan-2-yl-1,3-dihydroisoindole;2-ethyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-methyl-4-propan-2-ylindazole;2-methyl-4-propan-2-ylindazole;2-methyl-7-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydroisoindol-1-one;7-propan-2-yl-2,3-dihydroisoindol-1-one;1-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)propan-1-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?

The canonical SMILES for 2-cyclobutyl-4-propan-2-yl-1,3-dihydroisoindole;2-cyclobutyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-ethyl-4-propan-2-yl-1,3-dihydroisoindole;2-ethyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-methyl-4-propan-2-ylindazole;2-methyl-4-propan-2-ylindazole;2-methyl-7-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydroisoindol-1-one;7-propan-2-yl-2,3-dihydroisoindol-1-one;1-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)propan-1-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline is CC(C)c1ccc2c(c1)CNCC2.CC(C)c1ccc2sccc2c1.CC(C)c1ccc2scnc2c1.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2c1C(=O)N(C)C2.CC(C)c1cccc2c1C(=O)NC2.CC(C)c1cccc2c1CCN(C1CCC1)C2.CC(C)c1cccc2c1CN(C1CCC1)C2.CC(C)c1cccc2c1CNC2=O.CC(C)c1cccc2c1cnn2C.CC(C)c1cccc2nn(C)cc12.CC(C)c1cccc2scnc12.CCC(=O)N1Cc2cccc(C(C)C)c2C1.CCN1CCc2ccc(C(C)C)cc2C1.CCN1Cc2cccc(C(C)C)c2C1.

What is the InChIKey of 2-cyclobutyl-4-propan-2-yl-1,3-dihydroisoindole;2-cyclobutyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-ethyl-4-propan-2-yl-1,3-dihydroisoindole;2-ethyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-methyl-4-propan-2-ylindazole;2-methyl-4-propan-2-ylindazole;2-methyl-7-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydroisoindol-1-one;7-propan-2-yl-2,3-dihydroisoindol-1-one;1-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)propan-1-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?

The InChIKey is GZGQKQZYZCTLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N.C15H21N.C14H19NO.C14H21N.C13H19N.C12H15NO.C12H17N.2C11H14N2.2C11H13NO.C11H12S.C10H12N2.2C10H11NS/c1-12(2)15-8-3-5-13-11-17(10-9-16(13)15)14-6-4-7-14;1-11(2)14-8-3-5-12-9-16(10-15(12)14)13-6-4-7-13;1-4-14(16)15-8-11-6-5-7-12(10(2)3)13(11)9-15;1-4-15-8-7-12-5-6-13(11(2)3)9-14(12)10-15;1-4-14-8-11-6-5-7-12(10(2)3)13(11)9-14;1-8(2)10-6-4-5-9-7-13(3)12(14)11(9)10;1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-8(2)9-5-4-6-11-10(9)7-13(3)12-11;1-8(2)9-5-4-6-11-10(9)7-12-13(11)3;1-7(2)8-4-3-5-9-10(8)6-12-11(9)13;1-7(2)9-5-3-4-8-6-12-11(13)10(8)9;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-7(2)8-4-3-5-9-10(8)11-6-12-9/h3,5,8,12,14H,4,6-7,9-11H2,1-2H3;3,5,8,11,13H,4,6-7,9-10H2,1-2H3;5-7,10H,4,8-9H2,1-3H3;5-6,9,11H,4,7-8,10H2,1-3H3;5-7,10H,4,8-9H2,1-3H3;4-6,8H,7H2,1-3H3;3-4,7,9,13H,5-6,8H2,1-2H3;2*4-8H,1-3H3;2*3-5,7H,6H2,1-2H3,(H,12,13);3-8H,1-2H3;3-7H,1-2H3,(H,11,12);2*3-7H,1-2H3.

What are the key properties of 2-cyclobutyl-4-propan-2-yl-1,3-dihydroisoindole;2-cyclobutyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-ethyl-4-propan-2-yl-1,3-dihydroisoindole;2-ethyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-methyl-4-propan-2-ylindazole;2-methyl-4-propan-2-ylindazole;2-methyl-7-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydroisoindol-1-one;7-propan-2-yl-2,3-dihydroisoindol-1-one;1-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)propan-1-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?

2-cyclobutyl-4-propan-2-yl-1,3-dihydroisoindole;2-cyclobutyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-ethyl-4-propan-2-yl-1,3-dihydroisoindole;2-ethyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-methyl-4-propan-2-ylindazole;2-methyl-4-propan-2-ylindazole;2-methyl-7-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydroisoindol-1-one;7-propan-2-yl-2,3-dihydroisoindol-1-one;1-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)propan-1-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 2809.19 g/mol, XLogP of 44.70, 20 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclobutyl-4-propan-2-yl-1,3-dihydroisoindole;2-cyclobutyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-ethyl-4-propan-2-yl-1,3-dihydroisoindole;2-ethyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-methyl-4-propan-2-ylindazole;2-methyl-4-propan-2-ylindazole;2-methyl-7-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydroisoindol-1-one;7-propan-2-yl-2,3-dihydroisoindol-1-one;1-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)propan-1-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 158410666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).