7-chloro-N-[[1-(2-piperidin-1-ylethyl)triazol-4-yl]methyl]quinolin-4-amine

C19H23ClN6 — CID 122183480

IUPAC7-chloro-N-[[1-(2-piperidin-1-ylethyl)triazol-4-yl]methyl]quinolin-4-amine
SMILESClc1ccc2c(NCc3cn(CCN4CCCCC4)nn3)ccnc2c1
InChIInChI=1S/C19H23ClN6/c20-15-4-5-17-18(6-7-21-19(17)12-15)22-13-16-14-26(24-23-16)11-10-25-8-2-1-3-9-25/h4-7,12,14H,1-3,8-11,13H2,(H,21,22)
InChIKeyPLPAXILOVBOTOX-UHFFFAOYSA-N
MW370.89 g/mol
LogP3.58
Rot. Bonds6

About 7-chloro-N-[[1-(2-piperidin-1-ylethyl)triazol-4-yl]methyl]quinolin-4-amine

7-chloro-N-[[1-(2-piperidin-1-ylethyl)triazol-4-yl]methyl]quinolin-4-amine (PubChem CID 122183480) has the molecular formula C19H23ClN6 and a molecular weight of 370.89 g/mol. Its IUPAC name is 7-chloro-N-[[1-(2-piperidin-1-ylethyl)triazol-4-yl]methyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[[1-(2-piperidin-1-ylethyl)triazol-4-yl]methyl]quinolin-4-amine
PubChem CID122183480
Molecular FormulaC19H23ClN6
Molecular Weight370.89 g/mol
Exact Mass370.17
IUPAC Name7-chloro-N-[[1-(2-piperidin-1-ylethyl)triazol-4-yl]methyl]quinolin-4-amine
SMILESClc1ccc2c(NCc3cn(CCN4CCCCC4)nn3)ccnc2c1
InChIInChI=1S/C19H23ClN6/c20-15-4-5-17-18(6-7-21-19(17)12-15)22-13-16-14-26(24-23-16)11-10-25-8-2-1-3-9-25/h4-7,12,14H,1-3,8-11,13H2,(H,21,22)
InChIKeyPLPAXILOVBOTOX-UHFFFAOYSA-N
XLogP3.58
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.89
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[[1-(2-piperidin-1-ylethyl)triazol-4-yl]methyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[[1-(2-piperidin-1-ylethyl)triazol-4-yl]methyl]quinolin-4-amine (CID 122183480) is 7-chloro-N-[[1-(2-piperidin-1-ylethyl)triazol-4-yl]methyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[[1-(2-piperidin-1-ylethyl)triazol-4-yl]methyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[[1-(2-piperidin-1-ylethyl)triazol-4-yl]methyl]quinolin-4-amine is Clc1ccc2c(NCc3cn(CCN4CCCCC4)nn3)ccnc2c1.
What is the InChIKey of 7-chloro-N-[[1-(2-piperidin-1-ylethyl)triazol-4-yl]methyl]quinolin-4-amine?
The InChIKey is PLPAXILOVBOTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN6/c20-15-4-5-17-18(6-7-21-19(17)12-15)22-13-16-14-26(24-23-16)11-10-25-8-2-1-3-9-25/h4-7,12,14H,1-3,8-11,13H2,(H,21,22).
What are the key properties of 7-chloro-N-[[1-(2-piperidin-1-ylethyl)triazol-4-yl]methyl]quinolin-4-amine?
7-chloro-N-[[1-(2-piperidin-1-ylethyl)triazol-4-yl]methyl]quinolin-4-amine has a molecular weight of 370.89 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[[1-(2-piperidin-1-ylethyl)triazol-4-yl]methyl]quinolin-4-amine is sourced from PubChem (CID 122183480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).