N-methyl-N-(oxolan-3-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

C14H19N3O2 — CID 104615220

IUPACN-methyl-N-(oxolan-3-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)NCCN2)C1CCOC1
InChIInChI=1S/C14H19N3O2/c1-17(11-4-7-19-9-11)14(18)10-2-3-12-13(8-10)16-6-5-15-12/h2-3,8,11,15-16H,4-7,9H2,1H3
InChIKeySDXDMTNGHNPRTQ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.38
Rot. Bonds2

About N-methyl-N-(oxolan-3-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

N-methyl-N-(oxolan-3-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide (PubChem CID 104615220) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-methyl-N-(oxolan-3-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(oxolan-3-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
PubChem CID104615220
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-methyl-N-(oxolan-3-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)NCCN2)C1CCOC1
InChIInChI=1S/C14H19N3O2/c1-17(11-4-7-19-9-11)14(18)10-2-3-12-13(8-10)16-6-5-15-12/h2-3,8,11,15-16H,4-7,9H2,1H3
InChIKeySDXDMTNGHNPRTQ-UHFFFAOYSA-N
XLogP1.38
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-3-fluoro-N-methyl-N-(oxolan-3-yl)benzamide
CID 78947766
4-amino-3-bromo-N-methyl-N-(oxolan-3-yl)benzamide
CID 82737848
3,4-dihydroxy-N-methyl-N-(oxan-4-yl)benzamide
CID 103957367
(E)-3-[2-chloro-4-[methyl(oxolan-3-yl)carbamoyl]phenyl]prop-2-enoic acid
CID 82729763
2-[3-[methyl(oxolan-3-yl)carbamoyl]phenoxy]acetic acid
CID 120691080
4-amino-N,2-dimethyl-N-(oxolan-3-yl)benzamide
CID 82740644
3-(3-aminoprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide
CID 82748470
6-hydrazinyl-N-methyl-N-(oxolan-3-yl)pyridine-3-carboxamide
CID 82743833
N-butan-2-yl-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614557
3-chloro-4-(4-hydroxybut-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide
CID 82729494
N-[2-[cyclopropyl(methyl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614971
N-(2-amino-2-oxoethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614582

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxolan-3-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The IUPAC name of N-methyl-N-(oxolan-3-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide (CID 104615220) is N-methyl-N-(oxolan-3-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide.
What is the SMILES notation for N-methyl-N-(oxolan-3-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The canonical SMILES for N-methyl-N-(oxolan-3-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide is CN(C(=O)c1ccc2c(c1)NCCN2)C1CCOC1.
What is the InChIKey of N-methyl-N-(oxolan-3-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The InChIKey is SDXDMTNGHNPRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-17(11-4-7-19-9-11)14(18)10-2-3-12-13(8-10)16-6-5-15-12/h2-3,8,11,15-16H,4-7,9H2,1H3.
What are the key properties of N-methyl-N-(oxolan-3-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
N-methyl-N-(oxolan-3-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxolan-3-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide is sourced from PubChem (CID 104615220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).