N-propyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide

C12H17N3O — CID 104614467

IUPACN-propyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
SMILESCCCNC(=O)c1cccc2c1NCCN2
InChIInChI=1S/C12H17N3O/c1-2-6-15-12(16)9-4-3-5-10-11(9)14-8-7-13-10/h3-5,13-14H,2,6-8H2,1H3,(H,15,16)
InChIKeySKQWJKSKALUJBL-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.66
Rot. Bonds3

About N-propyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide

N-propyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide (PubChem CID 104614467) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-propyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-propyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
PubChem CID104614467
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-propyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
SMILESCCCNC(=O)c1cccc2c1NCCN2
InChIInChI=1S/C12H17N3O/c1-2-6-15-12(16)9-4-3-5-10-11(9)14-8-7-13-10/h3-5,13-14H,2,6-8H2,1H3,(H,15,16)
InChIKeySKQWJKSKALUJBL-UHFFFAOYSA-N
XLogP1.66
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614369
N-[2-(methylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 106339568
2-(1,2,3,4-tetrahydroquinoxaline-5-carbonylamino)ethyl carbamate
CID 104615253
N-[2-(dimethylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 106339594
N-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104615150
N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104615046
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104615174
N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614657
N-(2-ethylphenyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614434
N-[(2-methyloxolan-2-yl)methyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104615172
N-cyclohexyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614463
N-ethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614558

Frequently Asked Questions

What is the IUPAC name of N-propyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The IUPAC name of N-propyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide (CID 104614467) is N-propyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide.
What is the SMILES notation for N-propyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The canonical SMILES for N-propyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide is CCCNC(=O)c1cccc2c1NCCN2.
What is the InChIKey of N-propyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The InChIKey is SKQWJKSKALUJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-2-6-15-12(16)9-4-3-5-10-11(9)14-8-7-13-10/h3-5,13-14H,2,6-8H2,1H3,(H,15,16).
What are the key properties of N-propyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
N-propyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 1.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide is sourced from PubChem (CID 104614467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).