2-naphthalen-2-yl-4-(piperidin-1-ylmethyl)quinoline

C25H24N2 — CID 11710078

IUPAC2-naphthalen-2-yl-4-(piperidin-1-ylmethyl)quinoline
SMILESc1ccc2cc(-c3cc(CN4CCCCC4)c4ccccc4n3)ccc2c1
InChIInChI=1S/C25H24N2/c1-6-14-27(15-7-1)18-22-17-25(26-24-11-5-4-10-23(22)24)21-13-12-19-8-2-3-9-20(19)16-21/h2-5,8-13,16-17H,1,6-7,14-15,18H2
InChIKeyGJGBFEYHIZEAFP-UHFFFAOYSA-N
MW352.48 g/mol
LogP6.04
Rot. Bonds3

About 2-naphthalen-2-yl-4-(piperidin-1-ylmethyl)quinoline

2-naphthalen-2-yl-4-(piperidin-1-ylmethyl)quinoline (PubChem CID 11710078) has the molecular formula C25H24N2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-(piperidin-1-ylmethyl)quinoline.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-(piperidin-1-ylmethyl)quinoline
PubChem CID11710078
Molecular FormulaC25H24N2
Molecular Weight352.48 g/mol
Exact Mass352.19
IUPAC Name2-naphthalen-2-yl-4-(piperidin-1-ylmethyl)quinoline
SMILESc1ccc2cc(-c3cc(CN4CCCCC4)c4ccccc4n3)ccc2c1
InChIInChI=1S/C25H24N2/c1-6-14-27(15-7-1)18-22-17-25(26-24-11-5-4-10-23(22)24)21-13-12-19-8-2-3-9-20(19)16-21/h2-5,8-13,16-17H,1,6-7,14-15,18H2
InChIKeyGJGBFEYHIZEAFP-UHFFFAOYSA-N
XLogP6.04
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-(piperidin-1-ylmethyl)quinoline?
The IUPAC name of 2-naphthalen-2-yl-4-(piperidin-1-ylmethyl)quinoline (CID 11710078) is 2-naphthalen-2-yl-4-(piperidin-1-ylmethyl)quinoline.
What is the SMILES notation for 2-naphthalen-2-yl-4-(piperidin-1-ylmethyl)quinoline?
The canonical SMILES for 2-naphthalen-2-yl-4-(piperidin-1-ylmethyl)quinoline is c1ccc2cc(-c3cc(CN4CCCCC4)c4ccccc4n3)ccc2c1.
What is the InChIKey of 2-naphthalen-2-yl-4-(piperidin-1-ylmethyl)quinoline?
The InChIKey is GJGBFEYHIZEAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2/c1-6-14-27(15-7-1)18-22-17-25(26-24-11-5-4-10-23(22)24)21-13-12-19-8-2-3-9-20(19)16-21/h2-5,8-13,16-17H,1,6-7,14-15,18H2.
What are the key properties of 2-naphthalen-2-yl-4-(piperidin-1-ylmethyl)quinoline?
2-naphthalen-2-yl-4-(piperidin-1-ylmethyl)quinoline has a molecular weight of 352.48 g/mol, XLogP of 6.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-4-(piperidin-1-ylmethyl)quinoline is sourced from PubChem (CID 11710078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).