[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-isoquinolin-1-ylmethanone

C18H19N5O2 — CID 129329703

IUPAC[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-isoquinolin-1-ylmethanone
SMILESCCn1cnnc1[C@@H]1CN(C(=O)c2nccc3ccccc23)CCO1
InChIInChI=1S/C18H19N5O2/c1-2-22-12-20-21-17(22)15-11-23(9-10-25-15)18(24)16-14-6-4-3-5-13(14)7-8-19-16/h3-8,12,15H,2,9-11H2,1H3/t15-/m0/s1
InChIKeyGGMXIOTYRMVSLL-HNNXBMFYSA-N
MW337.38 g/mol
LogP2.06
Rot. Bonds3

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

[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-isoquinolin-1-ylmethanone (PubChem CID 129329703) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is [(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-isoquinolin-1-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-isoquinolin-1-ylmethanone
PubChem CID129329703
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-isoquinolin-1-ylmethanone
SMILESCCn1cnnc1[C@@H]1CN(C(=O)c2nccc3ccccc23)CCO1
InChIInChI=1S/C18H19N5O2/c1-2-22-12-20-21-17(22)15-11-23(9-10-25-15)18(24)16-14-6-4-3-5-13(14)7-8-19-16/h3-8,12,15H,2,9-11H2,1H3/t15-/m0/s1
InChIKeyGGMXIOTYRMVSLL-HNNXBMFYSA-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

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Related Compounds

[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-indazol-3-yl)methanone
CID 128997573
[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-quinolin-5-ylmethanone
CID 128990609
1-benzofuran-2-yl-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129006400
isoquinolin-1-yl-[(2R)-2-pyridin-4-ylmorpholin-4-yl]methanone
CID 124957778
[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-indol-7-yl)methanone
CID 129338842
(2-chloro-3-methylphenyl)-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129333852
1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-indazol-1-ylethanone
CID 129332693
[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-indol-6-yl)methanone
CID 129330839
(5-chlorofuran-2-yl)-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129341204
isoquinolin-1-yl-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129473192
(2S)-2-cyclopropyl-1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-phenylethanone
CID 129334593
1,3-benzodioxol-5-yl-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129339118

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-isoquinolin-1-ylmethanone?
The IUPAC name of [(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-isoquinolin-1-ylmethanone (CID 129329703) is [(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-isoquinolin-1-ylmethanone.
What is the SMILES notation for [(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-isoquinolin-1-ylmethanone?
The canonical SMILES for [(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-isoquinolin-1-ylmethanone is CCn1cnnc1[C@@H]1CN(C(=O)c2nccc3ccccc23)CCO1.
What is the InChIKey of [(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-isoquinolin-1-ylmethanone?
The InChIKey is GGMXIOTYRMVSLL-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-2-22-12-20-21-17(22)15-11-23(9-10-25-15)18(24)16-14-6-4-3-5-13(14)7-8-19-16/h3-8,12,15H,2,9-11H2,1H3/t15-/m0/s1.
What are the key properties of [(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-isoquinolin-1-ylmethanone?
[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-isoquinolin-1-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 [(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-isoquinolin-1-ylmethanone is sourced from PubChem (CID 129329703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).