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

C18H21ClN6 — CID 122183482

IUPAC7-chloro-N-[[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methyl]quinolin-4-amine
SMILESClc1ccc2c(NCc3cn(CCN4CCCC4)nn3)ccnc2c1
InChIInChI=1S/C18H21ClN6/c19-14-3-4-16-17(5-6-20-18(16)11-14)21-12-15-13-25(23-22-15)10-9-24-7-1-2-8-24/h3-6,11,13H,1-2,7-10,12H2,(H,20,21)
InChIKeyZUXWNBHASKJGQI-UHFFFAOYSA-N
MW356.86 g/mol
LogP3.19
Rot. Bonds6

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

7-chloro-N-[[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methyl]quinolin-4-amine (PubChem CID 122183482) has the molecular formula C18H21ClN6 and a molecular weight of 356.86 g/mol. Its IUPAC name is 7-chloro-N-[[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methyl]quinolin-4-amine
PubChem CID122183482
Molecular FormulaC18H21ClN6
Molecular Weight356.86 g/mol
Exact Mass356.15
IUPAC Name7-chloro-N-[[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methyl]quinolin-4-amine
SMILESClc1ccc2c(NCc3cn(CCN4CCCC4)nn3)ccnc2c1
InChIInChI=1S/C18H21ClN6/c19-14-3-4-16-17(5-6-20-18(16)11-14)21-12-15-13-25(23-22-15)10-9-24-7-1-2-8-24/h3-6,11,13H,1-2,7-10,12H2,(H,20,21)
InChIKeyZUXWNBHASKJGQI-UHFFFAOYSA-N
XLogP3.19
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 53.19
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-pyrrolidin-1-ylethyl)triazol-4-yl]methyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methyl]quinolin-4-amine (CID 122183482) is 7-chloro-N-[[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methyl]quinolin-4-amine is Clc1ccc2c(NCc3cn(CCN4CCCC4)nn3)ccnc2c1.
What is the InChIKey of 7-chloro-N-[[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methyl]quinolin-4-amine?
The InChIKey is ZUXWNBHASKJGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN6/c19-14-3-4-16-17(5-6-20-18(16)11-14)21-12-15-13-25(23-22-15)10-9-24-7-1-2-8-24/h3-6,11,13H,1-2,7-10,12H2,(H,20,21).
What are the key properties of 7-chloro-N-[[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methyl]quinolin-4-amine?
7-chloro-N-[[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methyl]quinolin-4-amine has a molecular weight of 356.86 g/mol, XLogP of 3.19, 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-pyrrolidin-1-ylethyl)triazol-4-yl]methyl]quinolin-4-amine is sourced from PubChem (CID 122183482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).