[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-quinolin-5-ylmethanone

C18H19N5O2 — CID 128990609

IUPAC[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-quinolin-5-ylmethanone
SMILESCCn1cnnc1C1CN(C(=O)c2cccc3ncccc23)CCO1
InChIInChI=1S/C18H19N5O2/c1-2-22-12-20-21-17(22)16-11-23(9-10-25-16)18(24)14-5-3-7-15-13(14)6-4-8-19-15/h3-8,12,16H,2,9-11H2,1H3
InChIKeyGFUNJBGLGKZRRM-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.06
Rot. Bonds3

About [2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-quinolin-5-ylmethanone

[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-quinolin-5-ylmethanone (PubChem CID 128990609) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is [2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-quinolin-5-ylmethanone.

Molecular Properties

Compound Name[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-quinolin-5-ylmethanone
PubChem CID128990609
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-quinolin-5-ylmethanone
SMILESCCn1cnnc1C1CN(C(=O)c2cccc3ncccc23)CCO1
InChIInChI=1S/C18H19N5O2/c1-2-22-12-20-21-17(22)16-11-23(9-10-25-16)18(24)14-5-3-7-15-13(14)6-4-8-19-15/h3-8,12,16H,2,9-11H2,1H3
InChIKeyGFUNJBGLGKZRRM-UHFFFAOYSA-N
XLogP2.06
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-quinolin-5-ylmethanone with MolForge

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Related Compounds

(2-chloro-3-methylphenyl)-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129333852
[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-isoquinolin-1-ylmethanone
CID 129329703
2,3-dihydro-1H-inden-4-yl-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 128998279
[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-indol-7-yl)methanone
CID 129338842
[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-quinolin-5-ylmethanone
CID 125013448
(2-pyridin-4-ylmorpholin-4-yl)-quinolin-5-ylmethanone
CID 110102580
[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-indazol-3-yl)methanone
CID 128997573
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-quinolin-5-ylmethanone
CID 124966222
[(2R)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]-quinolin-5-ylmethanone
CID 124978768
[(2R)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-quinolin-5-ylmethanone
CID 124957262
(5-chlorofuran-2-yl)-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129341204
1-benzofuran-2-yl-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129006400

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-quinolin-5-ylmethanone?
The IUPAC name of [2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-quinolin-5-ylmethanone (CID 128990609) is [2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-quinolin-5-ylmethanone.
What is the SMILES notation for [2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-quinolin-5-ylmethanone?
The canonical SMILES for [2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-quinolin-5-ylmethanone is CCn1cnnc1C1CN(C(=O)c2cccc3ncccc23)CCO1.
What is the InChIKey of [2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-quinolin-5-ylmethanone?
The InChIKey is GFUNJBGLGKZRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-2-22-12-20-21-17(22)16-11-23(9-10-25-16)18(24)14-5-3-7-15-13(14)6-4-8-19-15/h3-8,12,16H,2,9-11H2,1H3.
What are the key properties of [2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-quinolin-5-ylmethanone?
[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-quinolin-5-ylmethanone has a molecular weight of 337.38 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-quinolin-5-ylmethanone is sourced from PubChem (CID 128990609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).