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

C15H18N4O2 — CID 104954746

IUPACN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESCc1noc(CCNC(=O)c2cccc3c2CCCN3)n1
InChIInChI=1S/C15H18N4O2/c1-10-18-14(21-19-10)7-9-17-15(20)12-4-2-6-13-11(12)5-3-8-16-13/h2,4,6,16H,3,5,7-9H2,1H3,(H,17,20)
InChIKeyPSFDHIFEIMHZFA-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.71
Rot. Bonds4

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

N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide (PubChem CID 104954746) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
PubChem CID104954746
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC NameN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESCc1noc(CCNC(=O)c2cccc3c2CCCN3)n1
InChIInChI=1S/C15H18N4O2/c1-10-18-14(21-19-10)7-9-17-15(20)12-4-2-6-13-11(12)5-3-8-16-13/h2,4,6,16H,3,5,7-9H2,1H3,(H,17,20)
InChIKeyPSFDHIFEIMHZFA-UHFFFAOYSA-N
XLogP1.71
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62849698
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-indole-6-carboxamide
CID 106416306
N-pentyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850400
N-[2-(methylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 106336780
N-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55127025
N-[4-(dimethylamino)butyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850086
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 106414702
2,6-dichloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide
CID 113230361
N-(2,2-difluoroethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 113303798
3,5-diamino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106413318
3,5-dihydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 103892309
N-[[1-(dimethylamino)cyclobutyl]methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 105417100

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The IUPAC name of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide (CID 104954746) is N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide.
What is the SMILES notation for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The canonical SMILES for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide is Cc1noc(CCNC(=O)c2cccc3c2CCCN3)n1.
What is the InChIKey of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The InChIKey is PSFDHIFEIMHZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10-18-14(21-19-10)7-9-17-15(20)12-4-2-6-13-11(12)5-3-8-16-13/h2,4,6,16H,3,5,7-9H2,1H3,(H,17,20).
What are the key properties of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide is sourced from PubChem (CID 104954746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).