6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-piperidin-1-ylphenyl)quinoline

C27H33N3 — CID 11524148

IUPAC6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-piperidin-1-ylphenyl)quinoline
SMILESC[C@@H]1CCCN1CCc1ccc2nc(-c3ccc(N4CCCCC4)cc3)ccc2c1
InChIInChI=1S/C27H33N3/c1-21-6-5-18-29(21)19-15-22-7-13-27-24(20-22)10-14-26(28-27)23-8-11-25(12-9-23)30-16-3-2-4-17-30/h7-14,20-21H,2-6,15-19H2,1H3/t21-/m1/s1
InChIKeyZKIWXUBGHCOMER-OAQYLSRUSA-N
MW399.58 g/mol
LogP5.92
Rot. Bonds5

About 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-piperidin-1-ylphenyl)quinoline

6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-piperidin-1-ylphenyl)quinoline (PubChem CID 11524148) has the molecular formula C27H33N3 and a molecular weight of 399.58 g/mol. Its IUPAC name is 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-piperidin-1-ylphenyl)quinoline.

Molecular Properties

Compound Name6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-piperidin-1-ylphenyl)quinoline
PubChem CID11524148
Molecular FormulaC27H33N3
Molecular Weight399.58 g/mol
Exact Mass399.27
IUPAC Name6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-piperidin-1-ylphenyl)quinoline
SMILESC[C@@H]1CCCN1CCc1ccc2nc(-c3ccc(N4CCCCC4)cc3)ccc2c1
InChIInChI=1S/C27H33N3/c1-21-6-5-18-29(21)19-15-22-7-13-27-24(20-22)10-14-26(28-27)23-8-11-25(12-9-23)30-16-3-2-4-17-30/h7-14,20-21H,2-6,15-19H2,1H3/t21-/m1/s1
InChIKeyZKIWXUBGHCOMER-OAQYLSRUSA-N
XLogP5.92
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.58
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-piperidin-1-ylphenyl)quinoline?
The IUPAC name of 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-piperidin-1-ylphenyl)quinoline (CID 11524148) is 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-piperidin-1-ylphenyl)quinoline.
What is the SMILES notation for 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-piperidin-1-ylphenyl)quinoline?
The canonical SMILES for 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-piperidin-1-ylphenyl)quinoline is C[C@@H]1CCCN1CCc1ccc2nc(-c3ccc(N4CCCCC4)cc3)ccc2c1.
What is the InChIKey of 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-piperidin-1-ylphenyl)quinoline?
The InChIKey is ZKIWXUBGHCOMER-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H33N3/c1-21-6-5-18-29(21)19-15-22-7-13-27-24(20-22)10-14-26(28-27)23-8-11-25(12-9-23)30-16-3-2-4-17-30/h7-14,20-21H,2-6,15-19H2,1H3/t21-/m1/s1.
What are the key properties of 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-piperidin-1-ylphenyl)quinoline?
6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-piperidin-1-ylphenyl)quinoline has a molecular weight of 399.58 g/mol, XLogP of 5.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-piperidin-1-ylphenyl)quinoline is sourced from PubChem (CID 11524148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).