N-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]-2-morpholin-4-ylacetamide

C18H19N5O3 — CID 155295671

IUPACN-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]-2-morpholin-4-ylacetamide
SMILESCc1nnc(-c2ccc3cnc(NC(=O)CN4CCOCC4)cc3c2)o1
InChIInChI=1S/C18H19N5O3/c1-12-21-22-18(26-12)13-2-3-14-10-19-16(9-15(14)8-13)20-17(24)11-23-4-6-25-7-5-23/h2-3,8-10H,4-7,11H2,1H3,(H,19,20,24)
InChIKeyQKXCELBGKCQMRE-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.86
Rot. Bonds4

About N-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]-2-morpholin-4-ylacetamide

N-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]-2-morpholin-4-ylacetamide (PubChem CID 155295671) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]-2-morpholin-4-ylacetamide
PubChem CID155295671
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC NameN-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]-2-morpholin-4-ylacetamide
SMILESCc1nnc(-c2ccc3cnc(NC(=O)CN4CCOCC4)cc3c2)o1
InChIInChI=1S/C18H19N5O3/c1-12-21-22-18(26-12)13-2-3-14-10-19-16(9-15(14)8-13)20-17(24)11-23-4-6-25-7-5-23/h2-3,8-10H,4-7,11H2,1H3,(H,19,20,24)
InChIKeyQKXCELBGKCQMRE-UHFFFAOYSA-N
XLogP1.86
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl 4-[3-[2-oxo-2-[(5-phenyl-2-pyridinyl)amino]ethyl]-5-pyridin-4-yltriazol-4-yl]benzoate
CID 134131920
N-[2',6-Dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)[1,1'-biphenyl]-3-yl]-2-(1-pyrrolidinyl)-4-pyridinecarboxamide
CID 10479082
(S)-N1-(5-(isoquinolin-6-yl)-1,3,4-oxadiazol-2-yl)-3-(4-(trifluoromethyl)phenyl)propane-1,2-diamine
CID 25175218
N-[[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
CID 71449521
2-[3,4-Bis(trifluoromethyl)phenyl]-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole
CID 71456642
N-benzyl-5-isoquinolin-6-yl-1,3,4-oxadiazol-2-amine
CID 76313690
N-(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)-5-(3-pyridin-3-ylphenyl)-1,3,4-oxadiazol-2-amine
CID 137644436
4-fluoro-N-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]-1-(2-methylpropyl)piperidine-4-carboxamide
CID 132055838
1-(2,2-difluoropropyl)-N-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]piperidine-4-carboxamide
CID 132056242
4-[(3-fluoroazetidin-1-yl)methyl]-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide
CID 132056576
N-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
CID 132056599
2-(3-aminoazetidin-1-yl)-N-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide
CID 132057250

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]-2-morpholin-4-ylacetamide (CID 155295671) is N-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]-2-morpholin-4-ylacetamide is Cc1nnc(-c2ccc3cnc(NC(=O)CN4CCOCC4)cc3c2)o1.
What is the InChIKey of N-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]-2-morpholin-4-ylacetamide?
The InChIKey is QKXCELBGKCQMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-12-21-22-18(26-12)13-2-3-14-10-19-16(9-15(14)8-13)20-17(24)11-23-4-6-25-7-5-23/h2-3,8-10H,4-7,11H2,1H3,(H,19,20,24).
What are the key properties of N-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]-2-morpholin-4-ylacetamide?
N-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]-2-morpholin-4-ylacetamide has a molecular weight of 353.38 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 155295671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).