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

C25H25ClN4O2 — CID 124964102

IUPAC(2R)-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-/m1/s1
InChIKeyHVELKJUZCVLQGN-RUZDIDTESA-N
MW448.95 g/mol
LogP4.81
Rot. Bonds7

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

(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(quinolin-4-ylmethyl)morpholine (PubChem CID 124964102) has the molecular formula C25H25ClN4O2 and a molecular weight of 448.95 g/mol. Its IUPAC name is (2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(quinolin-4-ylmethyl)morpholine.

Molecular Properties

Compound Name(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(quinolin-4-ylmethyl)morpholine
PubChem CID124964102
Molecular FormulaC25H25ClN4O2
Molecular Weight448.95 g/mol
Exact Mass448.17
IUPAC Name(2R)-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-/m1/s1
InChIKeyHVELKJUZCVLQGN-RUZDIDTESA-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

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Related Compounds

(2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(quinolin-4-ylmethyl)morpholine
CID 124964103
2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(1H-imidazol-2-ylmethyl)morpholine
CID 127250858
(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(2-methylpyrazol-3-yl)methyl]morpholine
CID 125021223
(2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholine
CID 124945699
2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]-4-(quinolin-6-ylmethyl)morpholine
CID 132771953
2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(4-fluorophenyl)methyl]morpholine
CID 127250719
(2R)-4-[(2-methoxy-4-methylphenyl)methyl]-2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]morpholine
CID 124973703
4-[[(2S)-2-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoline
CID 92621433
2-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholine
CID 127250781
(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[5-[2-(4-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]morpholine
CID 125005877
2-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
CID 127250881
[2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-pyridin-3-ylmethanone
CID 127252255

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(quinolin-4-ylmethyl)morpholine?
The IUPAC name of (2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(quinolin-4-ylmethyl)morpholine (CID 124964102) is (2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(quinolin-4-ylmethyl)morpholine.
What is the SMILES notation for (2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(quinolin-4-ylmethyl)morpholine?
The canonical SMILES for (2R)-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 (2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(quinolin-4-ylmethyl)morpholine?
The InChIKey is HVELKJUZCVLQGN-RUZDIDTESA-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-/m1/s1.
What are the key properties of (2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(quinolin-4-ylmethyl)morpholine?
(2R)-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 (2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(quinolin-4-ylmethyl)morpholine is sourced from PubChem (CID 124964102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).