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

C14H21N3O — CID 104614369

IUPACN-(3-methylbutyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
SMILESCC(C)CCNC(=O)c1cccc2c1NCCN2
InChIInChI=1S/C14H21N3O/c1-10(2)6-7-17-14(18)11-4-3-5-12-13(11)16-9-8-15-12/h3-5,10,15-16H,6-9H2,1-2H3,(H,17,18)
InChIKeyKKHBXQKTJIUAOT-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.30
Rot. Bonds4

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

N-(3-methylbutyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide (PubChem CID 104614369) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(3-methylbutyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
PubChem CID104614369
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-(3-methylbutyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
SMILESCC(C)CCNC(=O)c1cccc2c1NCCN2
InChIInChI=1S/C14H21N3O/c1-10(2)6-7-17-14(18)11-4-3-5-12-13(11)16-9-8-15-12/h3-5,10,15-16H,6-9H2,1-2H3,(H,17,18)
InChIKeyKKHBXQKTJIUAOT-UHFFFAOYSA-N
XLogP2.30
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614467
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-ethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614558
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-[4-(dimethylamino)butan-2-yl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614770
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-(1-phenylethyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614392
N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614657
N-methyl-N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614808

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The IUPAC name of N-(3-methylbutyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide (CID 104614369) is N-(3-methylbutyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide is CC(C)CCNC(=O)c1cccc2c1NCCN2.
What is the InChIKey of N-(3-methylbutyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The InChIKey is KKHBXQKTJIUAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10(2)6-7-17-14(18)11-4-3-5-12-13(11)16-9-8-15-12/h3-5,10,15-16H,6-9H2,1-2H3,(H,17,18).
What are the key properties of N-(3-methylbutyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
N-(3-methylbutyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide is sourced from PubChem (CID 104614369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).