(2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(quinolin-4-ylmethyl)morpholine

C25H25ClN4O2 — CID 124964103

IUPAC(2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(quinolin-4-ylmethyl)morpholine
SMILESClc1ccc(OCCc2cc([C@@H]3CN(Cc4ccnc5ccccc45)CCO3)n[nH]2)cc1
InChIInChI=1S/C25H25ClN4O2/c26-19-5-7-21(8-6-19)31-13-10-20-15-24(29-28-20)25-17-30(12-14-32-25)16-18-9-11-27-23-4-2-1-3-22(18)23/h1-9,11,15,25H,10,12-14,16-17H2,(H,28,29)/t25-/m0/s1
InChIKeyHVELKJUZCVLQGN-VWLOTQADSA-N
MW448.95 g/mol
LogP4.81
Rot. Bonds7

About (2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(quinolin-4-ylmethyl)morpholine

(2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(quinolin-4-ylmethyl)morpholine (PubChem CID 124964103) has the molecular formula C25H25ClN4O2 and a molecular weight of 448.95 g/mol. Its IUPAC name is (2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(quinolin-4-ylmethyl)morpholine.

Molecular Properties

Compound Name(2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(quinolin-4-ylmethyl)morpholine
PubChem CID124964103
Molecular FormulaC25H25ClN4O2
Molecular Weight448.95 g/mol
Exact Mass448.17
IUPAC Name(2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(quinolin-4-ylmethyl)morpholine
SMILESClc1ccc(OCCc2cc([C@@H]3CN(Cc4ccnc5ccccc45)CCO3)n[nH]2)cc1
InChIInChI=1S/C25H25ClN4O2/c26-19-5-7-21(8-6-19)31-13-10-20-15-24(29-28-20)25-17-30(12-14-32-25)16-18-9-11-27-23-4-2-1-3-22(18)23/h1-9,11,15,25H,10,12-14,16-17H2,(H,28,29)/t25-/m0/s1
InChIKeyHVELKJUZCVLQGN-VWLOTQADSA-N
XLogP4.81
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.95
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(quinolin-4-ylmethyl)morpholine 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 (2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(quinolin-4-ylmethyl)morpholine?
The IUPAC name of (2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(quinolin-4-ylmethyl)morpholine (CID 124964103) is (2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(quinolin-4-ylmethyl)morpholine.
What is the SMILES notation for (2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(quinolin-4-ylmethyl)morpholine?
The canonical SMILES for (2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(quinolin-4-ylmethyl)morpholine is Clc1ccc(OCCc2cc([C@@H]3CN(Cc4ccnc5ccccc45)CCO3)n[nH]2)cc1.
What is the InChIKey of (2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(quinolin-4-ylmethyl)morpholine?
The InChIKey is HVELKJUZCVLQGN-VWLOTQADSA-N. The full InChI is InChI=1S/C25H25ClN4O2/c26-19-5-7-21(8-6-19)31-13-10-20-15-24(29-28-20)25-17-30(12-14-32-25)16-18-9-11-27-23-4-2-1-3-22(18)23/h1-9,11,15,25H,10,12-14,16-17H2,(H,28,29)/t25-/m0/s1.
What are the key properties of (2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(quinolin-4-ylmethyl)morpholine?
(2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(quinolin-4-ylmethyl)morpholine has a molecular weight of 448.95 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(quinolin-4-ylmethyl)morpholine is sourced from PubChem (CID 124964103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).