4-[2-[4-(8-chloroquinolin-2-yl)triazol-1-yl]ethyl]morpholine

C17H18ClN5O — CID 72858911

IUPAC4-[2-[4-(8-chloroquinolin-2-yl)triazol-1-yl]ethyl]morpholine
SMILESClc1cccc2ccc(-c3cn(CCN4CCOCC4)nn3)nc12
InChIInChI=1S/C17H18ClN5O/c18-14-3-1-2-13-4-5-15(19-17(13)14)16-12-23(21-20-16)7-6-22-8-10-24-11-9-22/h1-5,12H,6-11H2
InChIKeyYETVHUPLAWTOQA-UHFFFAOYSA-N
MW343.82 g/mol
LogP2.48
Rot. Bonds4

About 4-[2-[4-(8-chloroquinolin-2-yl)triazol-1-yl]ethyl]morpholine

4-[2-[4-(8-chloroquinolin-2-yl)triazol-1-yl]ethyl]morpholine (PubChem CID 72858911) has the molecular formula C17H18ClN5O and a molecular weight of 343.82 g/mol. Its IUPAC name is 4-[2-[4-(8-chloroquinolin-2-yl)triazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-(8-chloroquinolin-2-yl)triazol-1-yl]ethyl]morpholine
PubChem CID72858911
Molecular FormulaC17H18ClN5O
Molecular Weight343.82 g/mol
Exact Mass343.12
IUPAC Name4-[2-[4-(8-chloroquinolin-2-yl)triazol-1-yl]ethyl]morpholine
SMILESClc1cccc2ccc(-c3cn(CCN4CCOCC4)nn3)nc12
InChIInChI=1S/C17H18ClN5O/c18-14-3-1-2-13-4-5-15(19-17(13)14)16-12-23(21-20-16)7-6-22-8-10-24-11-9-22/h1-5,12H,6-11H2
InChIKeyYETVHUPLAWTOQA-UHFFFAOYSA-N
XLogP2.48
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[6-[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]-2-pyridinyl]methanol
CID 166278065
4-[2-[2-[2-[1-(4-fluorophenyl)triazol-4-yl]quinolin-8-yl]oxyethoxy]ethyl]morpholine
CID 155092095
5-(8-chloroquinolin-2-yl)-3-(2-morpholin-4-ylethyl)-4-(trifluoromethoxy)benzene-1,2-diamine
CID 139543965
1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid
CID 29082618
4-[3-[4-(4-bromophenyl)triazol-1-yl]propyl]morpholine
CID 50852596
8-chloro-N-(4-morpholin-4-ylbutyl)-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine
CID 118658884
2-methyl-1-[1-(2-morpholin-4-ylethyl)triazol-4-yl]propan-1-amine
CID 114202399
8-chloro-N-(3-morpholin-4-ylpropyl)cinnolin-4-amine
CID 20922967
2-[1-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]triazol-4-yl]-8-methoxyquinoline
CID 134067497
1-(3-chlorophenyl)-4-[2-(4-phenyltriazol-1-yl)ethyl]piperazine;hydrochloride
CID 142709680
4-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]morpholine
CID 43666388
4-[[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]phenyl]methyl]morpholine
CID 162443136

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(8-chloroquinolin-2-yl)triazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-(8-chloroquinolin-2-yl)triazol-1-yl]ethyl]morpholine (CID 72858911) is 4-[2-[4-(8-chloroquinolin-2-yl)triazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-(8-chloroquinolin-2-yl)triazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-(8-chloroquinolin-2-yl)triazol-1-yl]ethyl]morpholine is Clc1cccc2ccc(-c3cn(CCN4CCOCC4)nn3)nc12.
What is the InChIKey of 4-[2-[4-(8-chloroquinolin-2-yl)triazol-1-yl]ethyl]morpholine?
The InChIKey is YETVHUPLAWTOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O/c18-14-3-1-2-13-4-5-15(19-17(13)14)16-12-23(21-20-16)7-6-22-8-10-24-11-9-22/h1-5,12H,6-11H2.
What are the key properties of 4-[2-[4-(8-chloroquinolin-2-yl)triazol-1-yl]ethyl]morpholine?
4-[2-[4-(8-chloroquinolin-2-yl)triazol-1-yl]ethyl]morpholine has a molecular weight of 343.82 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(8-chloroquinolin-2-yl)triazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 72858911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).