(2S)-4-[(7-chloroquinolin-8-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine

C18H19ClN4O — CID 95278653

IUPAC(2S)-4-[(7-chloroquinolin-8-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
SMILESClc1ccc2cccnc2c1CN1CCO[C@H](Cn2cccn2)C1
InChIInChI=1S/C18H19ClN4O/c19-17-5-4-14-3-1-6-20-18(14)16(17)13-22-9-10-24-15(11-22)12-23-8-2-7-21-23/h1-8,15H,9-13H2/t15-/m0/s1
InChIKeyLFMZVOARCAWHMT-HNNXBMFYSA-N
MW342.83 g/mol
LogP2.99
Rot. Bonds4

About (2S)-4-[(7-chloroquinolin-8-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine

(2S)-4-[(7-chloroquinolin-8-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine (PubChem CID 95278653) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is (2S)-4-[(7-chloroquinolin-8-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-[(7-chloroquinolin-8-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
PubChem CID95278653
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC Name(2S)-4-[(7-chloroquinolin-8-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
SMILESClc1ccc2cccnc2c1CN1CCO[C@H](Cn2cccn2)C1
InChIInChI=1S/C18H19ClN4O/c19-17-5-4-14-3-1-6-20-18(14)16(17)13-22-9-10-24-15(11-22)12-23-8-2-7-21-23/h1-8,15H,9-13H2/t15-/m0/s1
InChIKeyLFMZVOARCAWHMT-HNNXBMFYSA-N
XLogP2.99
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-chloro-5-fluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 122150903
4-[(7-chloroquinolin-8-yl)methyl]-2-(3-fluorophenyl)morpholine
CID 86884183
(2R)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95287197
(2R)-4-[(5-chlorothiadiazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95278646
4-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzonitrile
CID 95277532
(2R)-4-[(5-methylpyrazin-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95279141
(3R)-1-[(7-chloroquinolin-8-yl)methyl]piperidin-3-ol
CID 94382578
(2S)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95277519
2-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-benzoxazole
CID 95279147
7-chloro-8-[[4-(oxan-2-ylmethoxy)piperidin-1-yl]methyl]quinoline
CID 102559179
(2S)-4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95281618
7-chloro-8-[(4-cyclopentylpiperazin-1-yl)methyl]quinoline
CID 55852939

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(7-chloroquinolin-8-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
The IUPAC name of (2S)-4-[(7-chloroquinolin-8-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine (CID 95278653) is (2S)-4-[(7-chloroquinolin-8-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine.
What is the SMILES notation for (2S)-4-[(7-chloroquinolin-8-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
The canonical SMILES for (2S)-4-[(7-chloroquinolin-8-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine is Clc1ccc2cccnc2c1CN1CCO[C@H](Cn2cccn2)C1.
What is the InChIKey of (2S)-4-[(7-chloroquinolin-8-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
The InChIKey is LFMZVOARCAWHMT-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19ClN4O/c19-17-5-4-14-3-1-6-20-18(14)16(17)13-22-9-10-24-15(11-22)12-23-8-2-7-21-23/h1-8,15H,9-13H2/t15-/m0/s1.
What are the key properties of (2S)-4-[(7-chloroquinolin-8-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
(2S)-4-[(7-chloroquinolin-8-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine has a molecular weight of 342.83 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(7-chloroquinolin-8-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine is sourced from PubChem (CID 95278653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).