1-[3-(dimethylamino)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carbonitrile

C14H18N4O — CID 117007172

IUPAC1-[3-(dimethylamino)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carbonitrile
SMILESCN(C)CCCN1CC(=O)Nc2cc(C#N)ccc21
InChIInChI=1S/C14H18N4O/c1-17(2)6-3-7-18-10-14(19)16-12-8-11(9-15)4-5-13(12)18/h4-5,8H,3,6-7,10H2,1-2H3,(H,16,19)
InChIKeyLQBKRIGLFRMFKO-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.27
Rot. Bonds4

About 1-[3-(dimethylamino)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carbonitrile

1-[3-(dimethylamino)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carbonitrile (PubChem CID 117007172) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carbonitrile.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carbonitrile
PubChem CID117007172
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-[3-(dimethylamino)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carbonitrile
SMILESCN(C)CCCN1CC(=O)Nc2cc(C#N)ccc21
InChIInChI=1S/C14H18N4O/c1-17(2)6-3-7-18-10-14(19)16-12-8-11(9-15)4-5-13(12)18/h4-5,8H,3,6-7,10H2,1-2H3,(H,16,19)
InChIKeyLQBKRIGLFRMFKO-UHFFFAOYSA-N
XLogP1.27
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-aminopropyl)-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile
CID 117031319
4-(3-methoxypropyl)-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile
CID 117007038
4-[2-(dimethylamino)ethyl]-1,3-dihydroquinoxalin-2-one
CID 117006568
4-(2-hydroxyethyl)-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile
CID 117031335
4-ethyl-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile
CID 104716038
6-bromo-4-[2-(dimethylamino)ethyl]-1,3-dihydroquinoxalin-2-one
CID 117006336
7-bromo-4-pentyl-1,3-dihydroquinoxalin-2-one
CID 117006831
1-butyl-2-oxo-3,4-dihydroquinoxaline-6-carbonitrile
CID 83644029
3-fluoro-4-[(3-oxo-2,4-dihydroquinoxalin-1-yl)methyl]benzonitrile
CID 28822230
1-butyl-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid
CID 117006964
7-iodo-4-propyl-1,3-dihydroquinoxalin-2-one
CID 79295584
1-(2-sulfanylethyl)-3,4-dihydro-2H-quinoxaline-6-carbonitrile
CID 117031652

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carbonitrile?
The IUPAC name of 1-[3-(dimethylamino)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carbonitrile (CID 117007172) is 1-[3-(dimethylamino)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carbonitrile.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carbonitrile?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carbonitrile is CN(C)CCCN1CC(=O)Nc2cc(C#N)ccc21.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carbonitrile?
The InChIKey is LQBKRIGLFRMFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-17(2)6-3-7-18-10-14(19)16-12-8-11(9-15)4-5-13(12)18/h4-5,8H,3,6-7,10H2,1-2H3,(H,16,19).
What are the key properties of 1-[3-(dimethylamino)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carbonitrile?
1-[3-(dimethylamino)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carbonitrile has a molecular weight of 258.32 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carbonitrile is sourced from PubChem (CID 117007172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).