N-(1-benzylpiperidin-4-yl)-7-chloroquinolin-4-amine

C21H22ClN3 — CID 2554184

IUPACN-(1-benzylpiperidin-4-yl)-7-chloroquinolin-4-amine
SMILESClc1ccc2c(NC3CCN(Cc4ccccc4)CC3)ccnc2c1
InChIInChI=1S/C21H22ClN3/c22-17-6-7-19-20(8-11-23-21(19)14-17)24-18-9-12-25(13-10-18)15-16-4-2-1-3-5-16/h1-8,11,14,18H,9-10,12-13,15H2,(H,23,24)
InChIKeyXNWQDXCFKJKLFN-UHFFFAOYSA-N
MW351.88 g/mol
LogP4.96
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-7-chloroquinolin-4-amine

N-(1-benzylpiperidin-4-yl)-7-chloroquinolin-4-amine (PubChem CID 2554184) has the molecular formula C21H22ClN3 and a molecular weight of 351.88 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-7-chloroquinolin-4-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-7-chloroquinolin-4-amine
PubChem CID2554184
Molecular FormulaC21H22ClN3
Molecular Weight351.88 g/mol
Exact Mass351.15
IUPAC NameN-(1-benzylpiperidin-4-yl)-7-chloroquinolin-4-amine
SMILESClc1ccc2c(NC3CCN(Cc4ccccc4)CC3)ccnc2c1
InChIInChI=1S/C21H22ClN3/c22-17-6-7-19-20(8-11-23-21(19)14-17)24-18-9-12-25(13-10-18)15-16-4-2-1-3-5-16/h1-8,11,14,18H,9-10,12-13,15H2,(H,23,24)
InChIKeyXNWQDXCFKJKLFN-UHFFFAOYSA-N
XLogP4.96
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-7-chloroquinolin-4-amine?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-7-chloroquinolin-4-amine (CID 2554184) is N-(1-benzylpiperidin-4-yl)-7-chloroquinolin-4-amine.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-7-chloroquinolin-4-amine?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-7-chloroquinolin-4-amine is Clc1ccc2c(NC3CCN(Cc4ccccc4)CC3)ccnc2c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-7-chloroquinolin-4-amine?
The InChIKey is XNWQDXCFKJKLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3/c22-17-6-7-19-20(8-11-23-21(19)14-17)24-18-9-12-25(13-10-18)15-16-4-2-1-3-5-16/h1-8,11,14,18H,9-10,12-13,15H2,(H,23,24).
What are the key properties of N-(1-benzylpiperidin-4-yl)-7-chloroquinolin-4-amine?
N-(1-benzylpiperidin-4-yl)-7-chloroquinolin-4-amine has a molecular weight of 351.88 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-7-chloroquinolin-4-amine is sourced from PubChem (CID 2554184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).