1,2,3,4-tetrahydroquinoxaline-6-carboxamide

C9H11N3O — CID 69495489

IUPAC1,2,3,4-tetrahydroquinoxaline-6-carboxamide
SMILESNC(=O)c1ccc2c(c1)NCCN2
InChIInChI=1S/C9H11N3O/c10-9(13)6-1-2-7-8(5-6)12-4-3-11-7/h1-2,5,11-12H,3-4H2,(H2,10,13)
InChIKeyZHXJXZVZANXIRQ-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.62
Rot. Bonds1

About 1,2,3,4-tetrahydroquinoxaline-6-carboxamide

1,2,3,4-tetrahydroquinoxaline-6-carboxamide (PubChem CID 69495489) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroquinoxaline-6-carboxamide.

Molecular Properties

Compound Name1,2,3,4-tetrahydroquinoxaline-6-carboxamide
PubChem CID69495489
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name1,2,3,4-tetrahydroquinoxaline-6-carboxamide
SMILESNC(=O)c1ccc2c(c1)NCCN2
InChIInChI=1S/C9H11N3O/c10-9(13)6-1-2-7-8(5-6)12-4-3-11-7/h1-2,5,11-12H,3-4H2,(H2,10,13)
InChIKeyZHXJXZVZANXIRQ-UHFFFAOYSA-N
XLogP0.62
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopropane]-6-carboxamide
CID 123510278
N-(2-amino-2-oxoethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614582
pyrrolidin-1-yl(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone
CID 96599561
2-cyclopropyl-1-(1,2,3,4-tetrahydroquinoxalin-6-yl)ethanone
CID 174817555
N-butan-2-yl-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614557
2-sulfanylidene-3,4-dihydro-1H-quinazoline-7-carboxamide
CID 90749748
N-(3,3-dimethylbutan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104828504
N-(4-hydroxycyclohexyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614341
N-benzyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614366
N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614337
N-(2,4,4-trimethylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614845
1,2,3,4-tetrahydroquinoxalin-6-yl-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114537100

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The IUPAC name of 1,2,3,4-tetrahydroquinoxaline-6-carboxamide (CID 69495489) is 1,2,3,4-tetrahydroquinoxaline-6-carboxamide.
What is the SMILES notation for 1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The canonical SMILES for 1,2,3,4-tetrahydroquinoxaline-6-carboxamide is NC(=O)c1ccc2c(c1)NCCN2.
What is the InChIKey of 1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The InChIKey is ZHXJXZVZANXIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c10-9(13)6-1-2-7-8(5-6)12-4-3-11-7/h1-2,5,11-12H,3-4H2,(H2,10,13).
What are the key properties of 1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
1,2,3,4-tetrahydroquinoxaline-6-carboxamide has a molecular weight of 177.21 g/mol, XLogP of 0.62, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroquinoxaline-6-carboxamide is sourced from PubChem (CID 69495489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).