4-[3-[[3-(4-chlorophenyl)-1H-pyridazin-2-yl]methyl]-2-pyridinyl]morpholine

C20H21ClN4O — CID 156654077

IUPAC4-[3-[[3-(4-chlorophenyl)-1H-pyridazin-2-yl]methyl]-2-pyridinyl]morpholine
SMILESClc1ccc(C2=CC=CNN2Cc2cccnc2N2CCOCC2)cc1
InChIInChI=1S/C20H21ClN4O/c21-18-7-5-16(6-8-18)19-4-2-10-23-25(19)15-17-3-1-9-22-20(17)24-11-13-26-14-12-24/h1-10,23H,11-15H2
InChIKeyXRKCFLSVJURYOT-UHFFFAOYSA-N
MW368.87 g/mol
LogP3.45
Rot. Bonds4

About 4-[3-[[3-(4-chlorophenyl)-1H-pyridazin-2-yl]methyl]-2-pyridinyl]morpholine

4-[3-[[3-(4-chlorophenyl)-1H-pyridazin-2-yl]methyl]-2-pyridinyl]morpholine (PubChem CID 156654077) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is 4-[3-[[3-(4-chlorophenyl)-1H-pyridazin-2-yl]methyl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[3-[[3-(4-chlorophenyl)-1H-pyridazin-2-yl]methyl]-2-pyridinyl]morpholine
PubChem CID156654077
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name4-[3-[[3-(4-chlorophenyl)-1H-pyridazin-2-yl]methyl]-2-pyridinyl]morpholine
SMILESClc1ccc(C2=CC=CNN2Cc2cccnc2N2CCOCC2)cc1
InChIInChI=1S/C20H21ClN4O/c21-18-7-5-16(6-8-18)19-4-2-10-23-25(19)15-17-3-1-9-22-20(17)24-11-13-26-14-12-24/h1-10,23H,11-15H2
InChIKeyXRKCFLSVJURYOT-UHFFFAOYSA-N
XLogP3.45
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2-morpholin-4-yl-3-pyridinyl)methyl]piperazin-1-yl]ethanol
CID 173270200
(1R)-5-chloro-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 97076938
1-[(3-chlorophenyl)methyl]-2-methyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111177163
1-[2-(4-chlorophenoxy)propyl]-2-methyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111680417
1-(5-chloro-2-morpholin-4-ylphenyl)-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea
CID 55695181
4-[6-(4-chlorophenyl)-1,2,4-triazin-5-yl]morpholine
CID 6405046
1-(2-morpholin-4-yl-3-pyridinyl)propan-2-amine
CID 83890121
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(oxolan-3-yl)methanamine
CID 45198325
ethane;4-(3-methyl-2-pyridinyl)morpholine
CID 143966357
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine
CID 38051144
(E)-3-(2,5-dichlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide
CID 37489406
2-methoxy-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]ethanamine
CID 114056606

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[3-(4-chlorophenyl)-1H-pyridazin-2-yl]methyl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[3-[[3-(4-chlorophenyl)-1H-pyridazin-2-yl]methyl]-2-pyridinyl]morpholine (CID 156654077) is 4-[3-[[3-(4-chlorophenyl)-1H-pyridazin-2-yl]methyl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[3-[[3-(4-chlorophenyl)-1H-pyridazin-2-yl]methyl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[3-[[3-(4-chlorophenyl)-1H-pyridazin-2-yl]methyl]-2-pyridinyl]morpholine is Clc1ccc(C2=CC=CNN2Cc2cccnc2N2CCOCC2)cc1.
What is the InChIKey of 4-[3-[[3-(4-chlorophenyl)-1H-pyridazin-2-yl]methyl]-2-pyridinyl]morpholine?
The InChIKey is XRKCFLSVJURYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c21-18-7-5-16(6-8-18)19-4-2-10-23-25(19)15-17-3-1-9-22-20(17)24-11-13-26-14-12-24/h1-10,23H,11-15H2.
What are the key properties of 4-[3-[[3-(4-chlorophenyl)-1H-pyridazin-2-yl]methyl]-2-pyridinyl]morpholine?
4-[3-[[3-(4-chlorophenyl)-1H-pyridazin-2-yl]methyl]-2-pyridinyl]morpholine has a molecular weight of 368.87 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[3-(4-chlorophenyl)-1H-pyridazin-2-yl]methyl]-2-pyridinyl]morpholine is sourced from PubChem (CID 156654077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).