1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-4H-quinoline

C47H64N4 — CID 162239107

About 1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-4H-quinoline

1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-4H-quinoline (PubChem CID 162239107) has the molecular formula C47H64N4 and a molecular weight of 685.06 g/mol. Its IUPAC name is 1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-4H-quinoline.

Molecular Properties

• Compound Name: 1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-4H-quinoline
• PubChem CID: 162239107
• Molecular Formula: C47H64N4
• Molecular Weight: 685.06 g/mol
• Exact Mass: 684.51
• IUPAC Name: 1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-4H-quinoline
• SMILES: CC(C)N1C=CCc2ccccc21.CC(C)N1CCCc2ccccc21.CC(C)N1CCc2ccccc21.CC(C)N1CCc2ccccc2C1
• InChI: InChI=1S/C12H17N.C12H15N.C12H17N.C11H15N/c2*1-10(2)13-9-5-7-11-6-3-4-8-12(11)13;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-9(2)12-8-7-10-5-3-4-6-11(10)12/h3-4,6,8,10H,5,7,9H2,1-2H3;3-6,8-10H,7H2,1-2H3;3-6,10H,7-9H2,1-2H3;3-6,9H,7-8H2,1-2H3
• InChIKey: ZWLREVHUKAFABV-UHFFFAOYSA-N
• XLogP: 10.73
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	685.06
LogP ≤ 5	10.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-4H-quinoline?

The IUPAC name of 1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-4H-quinoline (CID 162239107) is 1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-4H-quinoline.

What is the SMILES notation for 1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-4H-quinoline?

The canonical SMILES for 1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-4H-quinoline is CC(C)N1C=CCc2ccccc21.CC(C)N1CCCc2ccccc21.CC(C)N1CCc2ccccc21.CC(C)N1CCc2ccccc2C1.

What is the InChIKey of 1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-4H-quinoline?

The InChIKey is ZWLREVHUKAFABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.C12H15N.C12H17N.C11H15N/c2*1-10(2)13-9-5-7-11-6-3-4-8-12(11)13;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-9(2)12-8-7-10-5-3-4-6-11(10)12/h3-4,6,8,10H,5,7,9H2,1-2H3;3-6,8-10H,7H2,1-2H3;3-6,10H,7-9H2,1-2H3;3-6,9H,7-8H2,1-2H3.

What are the key properties of 1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-4H-quinoline?

1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-4H-quinoline has a molecular weight of 685.06 g/mol, XLogP of 10.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-4H-quinoline is sourced from PubChem (CID 162239107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).