N-[(6-chloroquinolin-8-yl)methyl]-2-(oxolan-3-ylmethyl)pyrazol-3-amine

C18H19ClN4O — CID 75382058

IUPACN-[(6-chloroquinolin-8-yl)methyl]-2-(oxolan-3-ylmethyl)pyrazol-3-amine
SMILESClc1cc(CNc2ccnn2CC2CCOC2)c2ncccc2c1
InChIInChI=1S/C18H19ClN4O/c19-16-8-14-2-1-5-20-18(14)15(9-16)10-21-17-3-6-22-23(17)11-13-4-7-24-12-13/h1-3,5-6,8-9,13,21H,4,7,10-12H2
InChIKeyYUZRKAUBWPLNLG-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.73
Rot. Bonds5

About N-[(6-chloroquinolin-8-yl)methyl]-2-(oxolan-3-ylmethyl)pyrazol-3-amine

N-[(6-chloroquinolin-8-yl)methyl]-2-(oxolan-3-ylmethyl)pyrazol-3-amine (PubChem CID 75382058) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is N-[(6-chloroquinolin-8-yl)methyl]-2-(oxolan-3-ylmethyl)pyrazol-3-amine.

Molecular Properties

Compound NameN-[(6-chloroquinolin-8-yl)methyl]-2-(oxolan-3-ylmethyl)pyrazol-3-amine
PubChem CID75382058
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC NameN-[(6-chloroquinolin-8-yl)methyl]-2-(oxolan-3-ylmethyl)pyrazol-3-amine
SMILESClc1cc(CNc2ccnn2CC2CCOC2)c2ncccc2c1
InChIInChI=1S/C18H19ClN4O/c19-16-8-14-2-1-5-20-18(14)15(9-16)10-21-17-3-6-22-23(17)11-13-4-7-24-12-13/h1-3,5-6,8-9,13,21H,4,7,10-12H2
InChIKeyYUZRKAUBWPLNLG-UHFFFAOYSA-N
XLogP3.73
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(6-chloroquinolin-8-yl)methyl]-2-(oxolan-3-ylmethyl)pyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloroquinolin-8-yl)methyl]-2-(oxolan-3-ylmethyl)pyrazol-3-amine?
The IUPAC name of N-[(6-chloroquinolin-8-yl)methyl]-2-(oxolan-3-ylmethyl)pyrazol-3-amine (CID 75382058) is N-[(6-chloroquinolin-8-yl)methyl]-2-(oxolan-3-ylmethyl)pyrazol-3-amine.
What is the SMILES notation for N-[(6-chloroquinolin-8-yl)methyl]-2-(oxolan-3-ylmethyl)pyrazol-3-amine?
The canonical SMILES for N-[(6-chloroquinolin-8-yl)methyl]-2-(oxolan-3-ylmethyl)pyrazol-3-amine is Clc1cc(CNc2ccnn2CC2CCOC2)c2ncccc2c1.
What is the InChIKey of N-[(6-chloroquinolin-8-yl)methyl]-2-(oxolan-3-ylmethyl)pyrazol-3-amine?
The InChIKey is YUZRKAUBWPLNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O/c19-16-8-14-2-1-5-20-18(14)15(9-16)10-21-17-3-6-22-23(17)11-13-4-7-24-12-13/h1-3,5-6,8-9,13,21H,4,7,10-12H2.
What are the key properties of N-[(6-chloroquinolin-8-yl)methyl]-2-(oxolan-3-ylmethyl)pyrazol-3-amine?
N-[(6-chloroquinolin-8-yl)methyl]-2-(oxolan-3-ylmethyl)pyrazol-3-amine has a molecular weight of 342.83 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloroquinolin-8-yl)methyl]-2-(oxolan-3-ylmethyl)pyrazol-3-amine is sourced from PubChem (CID 75382058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).