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

C17H19N3O — CID 104614434

IUPACN-(2-ethylphenyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
SMILESCCc1ccccc1NC(=O)c1cccc2c1NCCN2
InChIInChI=1S/C17H19N3O/c1-2-12-6-3-4-8-14(12)20-17(21)13-7-5-9-15-16(13)19-11-10-18-15/h3-9,18-19H,2,10-11H2,1H3,(H,20,21)
InChIKeyBYRKDLBLWILUFP-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.34
Rot. Bonds3

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

N-(2-ethylphenyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide (PubChem CID 104614434) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(2-ethylphenyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
PubChem CID104614434
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-(2-ethylphenyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
SMILESCCc1ccccc1NC(=O)c1cccc2c1NCCN2
InChIInChI=1S/C17H19N3O/c1-2-12-6-3-4-8-14(12)20-17(21)13-7-5-9-15-16(13)19-11-10-18-15/h3-9,18-19H,2,10-11H2,1H3,(H,20,21)
InChIKeyBYRKDLBLWILUFP-UHFFFAOYSA-N
XLogP3.34
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
N-(2-ethylphenyl)-2,3-dimethylbenzamide
CID 7923827
N-(2-ethylphenyl)-2,3-difluorobenzamide
CID 62650811
N-(2-ethylphenyl)-2-[(4-fluorobenzoyl)amino]benzamide
CID 58758751
N-(2-ethylphenyl)-2-methylsulfanylbenzamide
CID 973960
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
N-(2-ethylphenyl)-2-pyrrolidin-1-ylbenzamide
CID 168513079
N-[2-(methylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 106339568
2-ethoxy-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide;oxalic acid
CID 68765513
N-[2-(dimethylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 106339594
N-(2-ethylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide
CID 23877086
2-ethoxy-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide
CID 68765514

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide (CID 104614434) is N-(2-ethylphenyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide is CCc1ccccc1NC(=O)c1cccc2c1NCCN2.
What is the InChIKey of N-(2-ethylphenyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The InChIKey is BYRKDLBLWILUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-2-12-6-3-4-8-14(12)20-17(21)13-7-5-9-15-16(13)19-11-10-18-15/h3-9,18-19H,2,10-11H2,1H3,(H,20,21).
What are the key properties of N-(2-ethylphenyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
N-(2-ethylphenyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 3.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide is sourced from PubChem (CID 104614434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).