3-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]-2H-isoquinolin-1-one

C19H20N4O4 — CID 127955758

IUPAC3-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]-2H-isoquinolin-1-one
SMILESCC(C)c1nnc(C2CN(C(=O)c3cc4ccccc4c(=O)[nH]3)CCO2)o1
InChIInChI=1S/C19H20N4O4/c1-11(2)17-21-22-18(27-17)15-10-23(7-8-26-15)19(25)14-9-12-5-3-4-6-13(12)16(24)20-14/h3-6,9,11,15H,7-8,10H2,1-2H3,(H,20,24)
InChIKeyVQYAZYMRXCGDNG-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.25
Rot. Bonds3

About 3-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]-2H-isoquinolin-1-one

3-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]-2H-isoquinolin-1-one (PubChem CID 127955758) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 3-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]-2H-isoquinolin-1-one.

Molecular Properties

Compound Name3-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]-2H-isoquinolin-1-one
PubChem CID127955758
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name3-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]-2H-isoquinolin-1-one
SMILESCC(C)c1nnc(C2CN(C(=O)c3cc4ccccc4c(=O)[nH]3)CCO2)o1
InChIInChI=1S/C19H20N4O4/c1-11(2)17-21-22-18(27-17)15-10-23(7-8-26-15)19(25)14-9-12-5-3-4-6-13(12)16(24)20-14/h3-6,9,11,15H,7-8,10H2,1-2H3,(H,20,24)
InChIKeyVQYAZYMRXCGDNG-UHFFFAOYSA-N
XLogP2.25
TPSA101.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]-2H-isoquinolin-1-one with MolForge

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Related Compounds

isoquinolin-1-yl-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129473192
[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-quinolin-2-ylmethanone
CID 128969841
3-[(2S)-2-(4-bromophenyl)morpholine-4-carbonyl]-2H-isoquinolin-1-one
CID 94975491
indolizin-2-yl-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 128971284
3H-benzimidazol-5-yl-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129000545
(5-ethyl-1H-pyrazol-3-yl)-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 128998494
(5-tert-butyl-1,2-oxazol-3-yl)-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 128992090
(5-ethyl-3-methylfuran-2-yl)-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129326599
(2-methoxy-3-pyridinyl)-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129472499
3-methyl-1-[2-oxo-2-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethyl]pyridin-2-one
CID 129327007
4-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]-1H-quinolin-2-one
CID 129326425
(4-ethyl-5-methylthiophen-2-yl)-[(2S)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129326690

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]-2H-isoquinolin-1-one?
The IUPAC name of 3-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]-2H-isoquinolin-1-one (CID 127955758) is 3-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]-2H-isoquinolin-1-one.
What is the SMILES notation for 3-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]-2H-isoquinolin-1-one?
The canonical SMILES for 3-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]-2H-isoquinolin-1-one is CC(C)c1nnc(C2CN(C(=O)c3cc4ccccc4c(=O)[nH]3)CCO2)o1.
What is the InChIKey of 3-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]-2H-isoquinolin-1-one?
The InChIKey is VQYAZYMRXCGDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-11(2)17-21-22-18(27-17)15-10-23(7-8-26-15)19(25)14-9-12-5-3-4-6-13(12)16(24)20-14/h3-6,9,11,15H,7-8,10H2,1-2H3,(H,20,24).
What are the key properties of 3-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]-2H-isoquinolin-1-one?
3-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]-2H-isoquinolin-1-one has a molecular weight of 368.39 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]-2H-isoquinolin-1-one is sourced from PubChem (CID 127955758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).