N-(1,2,4-oxadiazol-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

C13H14N4O2 — CID 106397173

IUPACN-(1,2,4-oxadiazol-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESO=C(NCc1ncon1)c1ccc2c(c1)CCCN2
InChIInChI=1S/C13H14N4O2/c18-13(15-7-12-16-8-19-17-12)10-3-4-11-9(6-10)2-1-5-14-11/h3-4,6,8,14H,1-2,5,7H2,(H,15,18)
InChIKeyUQLMVTHBIKQTGS-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.36
Rot. Bonds3

About N-(1,2,4-oxadiazol-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

N-(1,2,4-oxadiazol-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide (PubChem CID 106397173) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-(1,2,4-oxadiazol-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(1,2,4-oxadiazol-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
PubChem CID106397173
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC NameN-(1,2,4-oxadiazol-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESO=C(NCc1ncon1)c1ccc2c(c1)CCCN2
InChIInChI=1S/C13H14N4O2/c18-13(15-7-12-16-8-19-17-12)10-3-4-11-9(6-10)2-1-5-14-11/h3-4,6,8,14H,1-2,5,7H2,(H,15,18)
InChIKeyUQLMVTHBIKQTGS-UHFFFAOYSA-N
XLogP1.36
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 61284513
N-(1,3-thiazol-4-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 63825530
N-[(2-methoxy-4-pyridinyl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 142859474
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 61285006
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 61003653
N-[(5-bromopyrazin-2-yl)methyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-7-carboxamide
CID 166416128
N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 60926593
2,2-dimethyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 115427981
N-(3-hydroxy-2,2-dimethylpropyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 115360312
N-[3-(methylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 55118334
2-(methylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide
CID 114185141
N-carbamoyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 79194659

Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide (CID 106397173) is N-(1,2,4-oxadiazol-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide.
What is the SMILES notation for N-(1,2,4-oxadiazol-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The canonical SMILES for N-(1,2,4-oxadiazol-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide is O=C(NCc1ncon1)c1ccc2c(c1)CCCN2.
What is the InChIKey of N-(1,2,4-oxadiazol-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The InChIKey is UQLMVTHBIKQTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c18-13(15-7-12-16-8-19-17-12)10-3-4-11-9(6-10)2-1-5-14-11/h3-4,6,8,14H,1-2,5,7H2,(H,15,18).
What are the key properties of N-(1,2,4-oxadiazol-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
N-(1,2,4-oxadiazol-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-oxadiazol-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide is sourced from PubChem (CID 106397173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).