7-chloro-N-[[1-(3-piperidin-1-ylpropyl)triazol-4-yl]methyl]quinolin-4-amine

C20H25ClN6 — CID 122183481

IUPAC7-chloro-N-[[1-(3-piperidin-1-ylpropyl)triazol-4-yl]methyl]quinolin-4-amine
SMILESClc1ccc2c(NCc3cn(CCCN4CCCCC4)nn3)ccnc2c1
InChIInChI=1S/C20H25ClN6/c21-16-5-6-18-19(7-8-22-20(18)13-16)23-14-17-15-27(25-24-17)12-4-11-26-9-2-1-3-10-26/h5-8,13,15H,1-4,9-12,14H2,(H,22,23)
InChIKeyQEQQNIRHYSCULO-UHFFFAOYSA-N
MW384.92 g/mol
LogP3.97
Rot. Bonds7

About 7-chloro-N-[[1-(3-piperidin-1-ylpropyl)triazol-4-yl]methyl]quinolin-4-amine

7-chloro-N-[[1-(3-piperidin-1-ylpropyl)triazol-4-yl]methyl]quinolin-4-amine (PubChem CID 122183481) has the molecular formula C20H25ClN6 and a molecular weight of 384.92 g/mol. Its IUPAC name is 7-chloro-N-[[1-(3-piperidin-1-ylpropyl)triazol-4-yl]methyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[[1-(3-piperidin-1-ylpropyl)triazol-4-yl]methyl]quinolin-4-amine
PubChem CID122183481
Molecular FormulaC20H25ClN6
Molecular Weight384.92 g/mol
Exact Mass384.18
IUPAC Name7-chloro-N-[[1-(3-piperidin-1-ylpropyl)triazol-4-yl]methyl]quinolin-4-amine
SMILESClc1ccc2c(NCc3cn(CCCN4CCCCC4)nn3)ccnc2c1
InChIInChI=1S/C20H25ClN6/c21-16-5-6-18-19(7-8-22-20(18)13-16)23-14-17-15-27(25-24-17)12-4-11-26-9-2-1-3-10-26/h5-8,13,15H,1-4,9-12,14H2,(H,22,23)
InChIKeyQEQQNIRHYSCULO-UHFFFAOYSA-N
XLogP3.97
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.92
LogP ≤ 53.97
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-(3-piperidin-1-ylpropyl)triazol-4-yl]methyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[[1-(3-piperidin-1-ylpropyl)triazol-4-yl]methyl]quinolin-4-amine (CID 122183481) is 7-chloro-N-[[1-(3-piperidin-1-ylpropyl)triazol-4-yl]methyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[[1-(3-piperidin-1-ylpropyl)triazol-4-yl]methyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[[1-(3-piperidin-1-ylpropyl)triazol-4-yl]methyl]quinolin-4-amine is Clc1ccc2c(NCc3cn(CCCN4CCCCC4)nn3)ccnc2c1.
What is the InChIKey of 7-chloro-N-[[1-(3-piperidin-1-ylpropyl)triazol-4-yl]methyl]quinolin-4-amine?
The InChIKey is QEQQNIRHYSCULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN6/c21-16-5-6-18-19(7-8-22-20(18)13-16)23-14-17-15-27(25-24-17)12-4-11-26-9-2-1-3-10-26/h5-8,13,15H,1-4,9-12,14H2,(H,22,23).
What are the key properties of 7-chloro-N-[[1-(3-piperidin-1-ylpropyl)triazol-4-yl]methyl]quinolin-4-amine?
7-chloro-N-[[1-(3-piperidin-1-ylpropyl)triazol-4-yl]methyl]quinolin-4-amine has a molecular weight of 384.92 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[[1-(3-piperidin-1-ylpropyl)triazol-4-yl]methyl]quinolin-4-amine is sourced from PubChem (CID 122183481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).