N-[4-(dimethylamino)butan-2-yl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide

C15H24N4O — CID 104614770

IUPACN-[4-(dimethylamino)butan-2-yl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
SMILESCC(CCN(C)C)NC(=O)c1cccc2c1NCCN2
InChIInChI=1S/C15H24N4O/c1-11(7-10-19(2)3)18-15(20)12-5-4-6-13-14(12)17-9-8-16-13/h4-6,11,16-17H,7-10H2,1-3H3,(H,18,20)
InChIKeyQFRJSNOLWRAKII-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.59
Rot. Bonds5

About N-[4-(dimethylamino)butan-2-yl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide

N-[4-(dimethylamino)butan-2-yl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide (PubChem CID 104614770) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[4-(dimethylamino)butan-2-yl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)butan-2-yl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
PubChem CID104614770
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-[4-(dimethylamino)butan-2-yl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
SMILESCC(CCN(C)C)NC(=O)c1cccc2c1NCCN2
InChIInChI=1S/C15H24N4O/c1-11(7-10-19(2)3)18-15(20)12-5-4-6-13-14(12)17-9-8-16-13/h4-6,11,16-17H,7-10H2,1-3H3,(H,18,20)
InChIKeyQFRJSNOLWRAKII-UHFFFAOYSA-N
XLogP1.59
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614369
N-(1-phenylethyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614392
N-(1-methoxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104615108
N-[4-(dimethylamino)butan-2-yl]-2-hydrazinylbenzamide
CID 62247539
N-propyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614467
2-amino-3-chloro-N-[4-(dimethylamino)butan-2-yl]benzamide
CID 113331728
N-(2-hydroxyethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 113433226
N-methyl-N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614808
N-[2-(dimethylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 106339594
N-[4-(dimethylamino)butan-2-yl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 71976318
N-[4-(dimethylamino)butan-2-yl]-4-(methylamino)pyridine-3-carboxamide
CID 81239916
N-(2-ethylphenyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614434

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)butan-2-yl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The IUPAC name of N-[4-(dimethylamino)butan-2-yl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide (CID 104614770) is N-[4-(dimethylamino)butan-2-yl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)butan-2-yl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)butan-2-yl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide is CC(CCN(C)C)NC(=O)c1cccc2c1NCCN2.
What is the InChIKey of N-[4-(dimethylamino)butan-2-yl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The InChIKey is QFRJSNOLWRAKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-11(7-10-19(2)3)18-15(20)12-5-4-6-13-14(12)17-9-8-16-13/h4-6,11,16-17H,7-10H2,1-3H3,(H,18,20).
What are the key properties of N-[4-(dimethylamino)butan-2-yl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
N-[4-(dimethylamino)butan-2-yl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)butan-2-yl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide is sourced from PubChem (CID 104614770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).