4-[2-methyl-1-(methylamino)propan-2-yl]-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile

C14H18N4O — CID 117031345

IUPAC4-[2-methyl-1-(methylamino)propan-2-yl]-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile
SMILESCNCC(C)(C)N1CC(=O)Nc2ccc(C#N)cc21
InChIInChI=1S/C14H18N4O/c1-14(2,9-16-3)18-8-13(19)17-11-5-4-10(7-15)6-12(11)18/h4-6,16H,8-9H2,1-3H3,(H,17,19)
InChIKeySJWLUKRLDJBCKP-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.31
Rot. Bonds3

About 4-[2-methyl-1-(methylamino)propan-2-yl]-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile

4-[2-methyl-1-(methylamino)propan-2-yl]-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile (PubChem CID 117031345) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[2-methyl-1-(methylamino)propan-2-yl]-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile.

Molecular Properties

Compound Name4-[2-methyl-1-(methylamino)propan-2-yl]-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile
PubChem CID117031345
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-[2-methyl-1-(methylamino)propan-2-yl]-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile
SMILESCNCC(C)(C)N1CC(=O)Nc2ccc(C#N)cc21
InChIInChI=1S/C14H18N4O/c1-14(2,9-16-3)18-8-13(19)17-11-5-4-10(7-15)6-12(11)18/h4-6,16H,8-9H2,1-3H3,(H,17,19)
InChIKeySJWLUKRLDJBCKP-UHFFFAOYSA-N
XLogP1.31
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-1-(methylamino)propan-2-yl]-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile?
The IUPAC name of 4-[2-methyl-1-(methylamino)propan-2-yl]-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile (CID 117031345) is 4-[2-methyl-1-(methylamino)propan-2-yl]-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile.
What is the SMILES notation for 4-[2-methyl-1-(methylamino)propan-2-yl]-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile?
The canonical SMILES for 4-[2-methyl-1-(methylamino)propan-2-yl]-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile is CNCC(C)(C)N1CC(=O)Nc2ccc(C#N)cc21.
What is the InChIKey of 4-[2-methyl-1-(methylamino)propan-2-yl]-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile?
The InChIKey is SJWLUKRLDJBCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-14(2,9-16-3)18-8-13(19)17-11-5-4-10(7-15)6-12(11)18/h4-6,16H,8-9H2,1-3H3,(H,17,19).
What are the key properties of 4-[2-methyl-1-(methylamino)propan-2-yl]-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile?
4-[2-methyl-1-(methylamino)propan-2-yl]-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile has a molecular weight of 258.32 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-1-(methylamino)propan-2-yl]-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile is sourced from PubChem (CID 117031345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).