4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(propylamino)butanenitrile

C16H24N4 — CID 63779140

IUPAC4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(propylamino)butanenitrile
SMILESCCCNC(C#N)CCN1CCN(C)c2ccccc21
InChIInChI=1S/C16H24N4/c1-3-9-18-14(13-17)8-10-20-12-11-19(2)15-6-4-5-7-16(15)20/h4-7,14,18H,3,8-12H2,1-2H3
InChIKeyAOTJYMATOZOEKQ-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.22
Rot. Bonds6

About 4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(propylamino)butanenitrile

4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(propylamino)butanenitrile (PubChem CID 63779140) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(propylamino)butanenitrile.

Molecular Properties

Compound Name4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(propylamino)butanenitrile
PubChem CID63779140
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(propylamino)butanenitrile
SMILESCCCNC(C#N)CCN1CCN(C)c2ccccc21
InChIInChI=1S/C16H24N4/c1-3-9-18-14(13-17)8-10-20-12-11-19(2)15-6-4-5-7-16(15)20/h4-7,14,18H,3,8-12H2,1-2H3
InChIKeyAOTJYMATOZOEKQ-UHFFFAOYSA-N
XLogP2.22
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(propylamino)butanenitrile?
The IUPAC name of 4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(propylamino)butanenitrile (CID 63779140) is 4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(propylamino)butanenitrile.
What is the SMILES notation for 4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(propylamino)butanenitrile?
The canonical SMILES for 4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(propylamino)butanenitrile is CCCNC(C#N)CCN1CCN(C)c2ccccc21.
What is the InChIKey of 4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(propylamino)butanenitrile?
The InChIKey is AOTJYMATOZOEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-3-9-18-14(13-17)8-10-20-12-11-19(2)15-6-4-5-7-16(15)20/h4-7,14,18H,3,8-12H2,1-2H3.
What are the key properties of 4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(propylamino)butanenitrile?
4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(propylamino)butanenitrile has a molecular weight of 272.40 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(propylamino)butanenitrile is sourced from PubChem (CID 63779140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).