N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

C14H19N3O3 — CID 104614671

IUPACN-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
SMILESO=C(NCC1COCCO1)c1ccc2c(c1)NCCN2
InChIInChI=1S/C14H19N3O3/c18-14(17-8-11-9-19-5-6-20-11)10-1-2-12-13(7-10)16-4-3-15-12/h1-2,7,11,15-16H,3-6,8-9H2,(H,17,18)
InChIKeyCSTXYGBRAICCFJ-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.67
Rot. Bonds3

About N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide (PubChem CID 104614671) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
PubChem CID104614671
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
SMILESO=C(NCC1COCCO1)c1ccc2c(c1)NCCN2
InChIInChI=1S/C14H19N3O3/c18-14(17-8-11-9-19-5-6-20-11)10-1-2-12-13(7-10)16-4-3-15-12/h1-2,7,11,15-16H,3-6,8-9H2,(H,17,18)
InChIKeyCSTXYGBRAICCFJ-UHFFFAOYSA-N
XLogP0.67
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 61024481
N-(1,4-dioxan-2-ylmethyl)-3,4-dihydroxybenzamide
CID 113358419
4-carbamothioyl-N-(1,4-dioxan-2-ylmethyl)benzamide
CID 54908262
3-bromo-N-(1,4-dioxan-2-ylmethyl)benzamide
CID 54908965
N-(1,4-dioxan-2-ylmethyl)-3-sulfanylbenzamide
CID 107023717
4-(aminomethyl)-N-(1,4-dioxan-2-ylmethyl)benzamide;hydrochloride
CID 119295756
6-chloro-N-(1,4-dioxan-2-ylmethyl)pyridine-3-carboxamide
CID 54908916
N-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614995
N-(1,4-dioxan-2-ylmethyl)-2,4-dimethylbenzamide;ethane
CID 178150014
3-[3-(1,4-dioxan-2-ylmethylcarbamoyl)phenyl]prop-2-enoic acid
CID 76907237
N-(1,4-dioxan-2-ylmethyl)-2-(4-fluorobenzoyl)benzamide
CID 71938613
N-[[(2S)-1,4-dioxan-2-yl]methyl]-2-(4-fluorobenzoyl)benzamide
CID 97013900

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide (CID 104614671) is N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide is O=C(NCC1COCCO1)c1ccc2c(c1)NCCN2.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The InChIKey is CSTXYGBRAICCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-14(17-8-11-9-19-5-6-20-11)10-1-2-12-13(7-10)16-4-3-15-12/h1-2,7,11,15-16H,3-6,8-9H2,(H,17,18).
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 0.67, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide is sourced from PubChem (CID 104614671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).