7-[6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)piperidin-2-yl]quinoline

C23H31N3 — CID 154555746

IUPAC7-[6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)piperidin-2-yl]quinoline
SMILESc1cnc2cc(C3CCCC(C4CCC5CCCCC5N4)N3)ccc2c1
InChIInChI=1S/C23H31N3/c1-2-7-19-16(5-1)12-13-22(25-19)21-9-3-8-20(26-21)18-11-10-17-6-4-14-24-23(17)15-18/h4,6,10-11,14-16,19-22,25-26H,1-3,5,7-9,12-13H2
InChIKeyRKMZBHIUVRZHGI-UHFFFAOYSA-N
MW349.52 g/mol
LogP4.73
Rot. Bonds2

About 7-[6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)piperidin-2-yl]quinoline

7-[6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)piperidin-2-yl]quinoline (PubChem CID 154555746) has the molecular formula C23H31N3 and a molecular weight of 349.52 g/mol. Its IUPAC name is 7-[6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)piperidin-2-yl]quinoline.

Molecular Properties

Compound Name7-[6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)piperidin-2-yl]quinoline
PubChem CID154555746
Molecular FormulaC23H31N3
Molecular Weight349.52 g/mol
Exact Mass349.25
IUPAC Name7-[6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)piperidin-2-yl]quinoline
SMILESc1cnc2cc(C3CCCC(C4CCC5CCCCC5N4)N3)ccc2c1
InChIInChI=1S/C23H31N3/c1-2-7-19-16(5-1)12-13-22(25-19)21-9-3-8-20(26-21)18-11-10-17-6-4-14-24-23(17)15-18/h4,6,10-11,14-16,19-22,25-26H,1-3,5,7-9,12-13H2
InChIKeyRKMZBHIUVRZHGI-UHFFFAOYSA-N
XLogP4.73
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-[6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)piperidin-2-yl]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)piperidin-2-yl]quinoline?
The IUPAC name of 7-[6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)piperidin-2-yl]quinoline (CID 154555746) is 7-[6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)piperidin-2-yl]quinoline.
What is the SMILES notation for 7-[6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)piperidin-2-yl]quinoline?
The canonical SMILES for 7-[6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)piperidin-2-yl]quinoline is c1cnc2cc(C3CCCC(C4CCC5CCCCC5N4)N3)ccc2c1.
What is the InChIKey of 7-[6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)piperidin-2-yl]quinoline?
The InChIKey is RKMZBHIUVRZHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3/c1-2-7-19-16(5-1)12-13-22(25-19)21-9-3-8-20(26-21)18-11-10-17-6-4-14-24-23(17)15-18/h4,6,10-11,14-16,19-22,25-26H,1-3,5,7-9,12-13H2.
What are the key properties of 7-[6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)piperidin-2-yl]quinoline?
7-[6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)piperidin-2-yl]quinoline has a molecular weight of 349.52 g/mol, XLogP of 4.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)piperidin-2-yl]quinoline is sourced from PubChem (CID 154555746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).