isoquinolin-1-yl-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone

C19H20N4O3 — CID 129473192

IUPACisoquinolin-1-yl-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
SMILESCC(C)c1nnc([C@H]2CN(C(=O)c3nccc4ccccc34)CCO2)o1
InChIInChI=1S/C19H20N4O3/c1-12(2)17-21-22-18(26-17)15-11-23(9-10-25-15)19(24)16-14-6-4-3-5-13(14)7-8-20-16/h3-8,12,15H,9-11H2,1-2H3/t15-/m1/s1
InChIKeyQZGBWIPXAWUSEL-OAHLLOKOSA-N
MW352.39 g/mol
LogP2.95
Rot. Bonds3

About isoquinolin-1-yl-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone

isoquinolin-1-yl-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone (PubChem CID 129473192) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is isoquinolin-1-yl-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Nameisoquinolin-1-yl-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
PubChem CID129473192
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Nameisoquinolin-1-yl-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
SMILESCC(C)c1nnc([C@H]2CN(C(=O)c3nccc4ccccc34)CCO2)o1
InChIInChI=1S/C19H20N4O3/c1-12(2)17-21-22-18(26-17)15-11-23(9-10-25-15)19(24)16-14-6-4-3-5-13(14)7-8-20-16/h3-8,12,15H,9-11H2,1-2H3/t15-/m1/s1
InChIKeyQZGBWIPXAWUSEL-OAHLLOKOSA-N
XLogP2.95
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]-2H-isoquinolin-1-one
CID 127955758
[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-quinolin-2-ylmethanone
CID 128969841
isoquinolin-1-yl-[(2R)-2-pyridin-4-ylmorpholin-4-yl]methanone
CID 124957778
(2-methoxy-3-pyridinyl)-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129472499
[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-isoquinolin-1-ylmethanone
CID 129329703
indolizin-2-yl-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 128971284
(2S)-N-(4-methyl-2-pyridinyl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide
CID 129333071
(5-ethyl-1H-pyrazol-3-yl)-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 128998494
3-(furan-2-yl)-1-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
CID 128981499
3H-benzimidazol-5-yl-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129000545
[2-[6-(2,6-difluorophenyl)-2-pyridinyl]morpholin-4-yl]-isoquinolin-1-ylmethanone
CID 127250494
[(2S)-2-[6-(2,6-difluorophenyl)-2-pyridinyl]morpholin-4-yl]-isoquinolin-1-ylmethanone
CID 124958836

Frequently Asked Questions

What is the IUPAC name of isoquinolin-1-yl-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
The IUPAC name of isoquinolin-1-yl-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone (CID 129473192) is isoquinolin-1-yl-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone.
What is the SMILES notation for isoquinolin-1-yl-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
The canonical SMILES for isoquinolin-1-yl-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone is CC(C)c1nnc([C@H]2CN(C(=O)c3nccc4ccccc34)CCO2)o1.
What is the InChIKey of isoquinolin-1-yl-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
The InChIKey is QZGBWIPXAWUSEL-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-12(2)17-21-22-18(26-17)15-11-23(9-10-25-15)19(24)16-14-6-4-3-5-13(14)7-8-20-16/h3-8,12,15H,9-11H2,1-2H3/t15-/m1/s1.
What are the key properties of isoquinolin-1-yl-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
isoquinolin-1-yl-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone has a molecular weight of 352.39 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-1-yl-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 129473192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).