N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]isoquinoline-1-carboxamide

C15H14N4O3 — CID 119069013

IUPACN-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]isoquinoline-1-carboxamide
SMILESCc1nonc1OCCNC(=O)c1nccc2ccccc12
InChIInChI=1S/C15H14N4O3/c1-10-15(19-22-18-10)21-9-8-17-14(20)13-12-5-3-2-4-11(12)6-7-16-13/h2-7H,8-9H2,1H3,(H,17,20)
InChIKeyGJQYXPXDBXSCHV-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.74
Rot. Bonds5

About N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]isoquinoline-1-carboxamide

N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]isoquinoline-1-carboxamide (PubChem CID 119069013) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]isoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]isoquinoline-1-carboxamide
PubChem CID119069013
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC NameN-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]isoquinoline-1-carboxamide
SMILESCc1nonc1OCCNC(=O)c1nccc2ccccc12
InChIInChI=1S/C15H14N4O3/c1-10-15(19-22-18-10)21-9-8-17-14(20)13-12-5-3-2-4-11(12)6-7-16-13/h2-7H,8-9H2,1H3,(H,17,20)
InChIKeyGJQYXPXDBXSCHV-UHFFFAOYSA-N
XLogP1.74
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pyrazolo[1,5-a]pyridine-7-carboxamide
CID 56899511
N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 90650767
2-indazol-1-yl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]acetamide
CID 90652276
7-methyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
CID 77082153
2,7,8-trimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]quinoline-4-carboxamide
CID 70788382
N-[2-(2-phenylphenoxy)ethyl]isoquinoline-1-carboxamide
CID 52822289
3-fluoro-7-methyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 119073719
N-(2-pyridin-2-ylethyl)isoquinoline-1-carboxamide
CID 171674202
N-(6-bromohexyl)isoquinoline-1-carboxamide
CID 107847868
N-(6-aminohexyl)isoquinoline-1-carboxamide
CID 107843824
(3R)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-3-(2-methylphenyl)-3-phenylpropanamide
CID 97273006
ethyl 2-benzyl-3-(isoquinoline-1-carbonylamino)propanoate
CID 60612136

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]isoquinoline-1-carboxamide?
The IUPAC name of N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]isoquinoline-1-carboxamide (CID 119069013) is N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]isoquinoline-1-carboxamide.
What is the SMILES notation for N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]isoquinoline-1-carboxamide?
The canonical SMILES for N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]isoquinoline-1-carboxamide is Cc1nonc1OCCNC(=O)c1nccc2ccccc12.
What is the InChIKey of N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]isoquinoline-1-carboxamide?
The InChIKey is GJQYXPXDBXSCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-10-15(19-22-18-10)21-9-8-17-14(20)13-12-5-3-2-4-11(12)6-7-16-13/h2-7H,8-9H2,1H3,(H,17,20).
What are the key properties of N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]isoquinoline-1-carboxamide?
N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]isoquinoline-1-carboxamide has a molecular weight of 298.30 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]isoquinoline-1-carboxamide is sourced from PubChem (CID 119069013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).