N-(oxolan-3-ylmethyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide

C14H19N3O2 — CID 104614955

IUPACN-(oxolan-3-ylmethyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
SMILESO=C(NCC1CCOC1)c1cccc2c1NCCN2
InChIInChI=1S/C14H19N3O2/c18-14(17-8-10-4-7-19-9-10)11-2-1-3-12-13(11)16-6-5-15-12/h1-3,10,15-16H,4-9H2,(H,17,18)
InChIKeyHDIKEJKKUMHETJ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.29
Rot. Bonds3

About N-(oxolan-3-ylmethyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide

N-(oxolan-3-ylmethyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide (PubChem CID 104614955) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
PubChem CID104614955
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-(oxolan-3-ylmethyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
SMILESO=C(NCC1CCOC1)c1cccc2c1NCCN2
InChIInChI=1S/C14H19N3O2/c18-14(17-8-10-4-7-19-9-10)11-2-1-3-12-13(11)16-6-5-15-12/h1-3,10,15-16H,4-9H2,(H,17,18)
InChIKeyHDIKEJKKUMHETJ-UHFFFAOYSA-N
XLogP1.29
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxan-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850075
N-propyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614467
2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-3-carboxamide
CID 62824934
3-fluoro-2-hydrazinyl-N-(oxolan-3-ylmethyl)benzamide
CID 62824048
N-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104615150
2-hydroxy-3-methyl-N-(oxan-3-ylmethyl)benzamide
CID 61073826
N-[[(3R)-oxan-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 94194267
N-[(2-methyloxolan-2-yl)methyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104615172
2-bromo-3-methyl-N-(oxan-3-ylmethyl)benzamide
CID 113338886
N-(3-methylbutyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614369
2,4-dihydroxy-N-(oxolan-3-ylmethyl)benzamide
CID 103614166
ethane;3-methyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide
CID 169269117

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The IUPAC name of N-(oxolan-3-ylmethyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide (CID 104614955) is N-(oxolan-3-ylmethyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The canonical SMILES for N-(oxolan-3-ylmethyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide is O=C(NCC1CCOC1)c1cccc2c1NCCN2.
What is the InChIKey of N-(oxolan-3-ylmethyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The InChIKey is HDIKEJKKUMHETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c18-14(17-8-10-4-7-19-9-10)11-2-1-3-12-13(11)16-6-5-15-12/h1-3,10,15-16H,4-9H2,(H,17,18).
What are the key properties of N-(oxolan-3-ylmethyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
N-(oxolan-3-ylmethyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide is sourced from PubChem (CID 104614955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).