2-chloro-3-[methyl(propan-2-yl)amino]quinoxaline-6-carbonitrile

C13H13ClN4 — CID 86670228

IUPAC2-chloro-3-[methyl(propan-2-yl)amino]quinoxaline-6-carbonitrile
SMILESCC(C)N(C)c1nc2cc(C#N)ccc2nc1Cl
InChIInChI=1S/C13H13ClN4/c1-8(2)18(3)13-12(14)16-10-5-4-9(7-15)6-11(10)17-13/h4-6,8H,1-3H3
InChIKeyPOPKOVWOVSVSKK-UHFFFAOYSA-N
MW260.73 g/mol
LogP3.00
Rot. Bonds2

About 2-chloro-3-[methyl(propan-2-yl)amino]quinoxaline-6-carbonitrile

2-chloro-3-[methyl(propan-2-yl)amino]quinoxaline-6-carbonitrile (PubChem CID 86670228) has the molecular formula C13H13ClN4 and a molecular weight of 260.73 g/mol. Its IUPAC name is 2-chloro-3-[methyl(propan-2-yl)amino]quinoxaline-6-carbonitrile.

Molecular Properties

Compound Name2-chloro-3-[methyl(propan-2-yl)amino]quinoxaline-6-carbonitrile
PubChem CID86670228
Molecular FormulaC13H13ClN4
Molecular Weight260.73 g/mol
Exact Mass260.08
IUPAC Name2-chloro-3-[methyl(propan-2-yl)amino]quinoxaline-6-carbonitrile
SMILESCC(C)N(C)c1nc2cc(C#N)ccc2nc1Cl
InChIInChI=1S/C13H13ClN4/c1-8(2)18(3)13-12(14)16-10-5-4-9(7-15)6-11(10)17-13/h4-6,8H,1-3H3
InChIKeyPOPKOVWOVSVSKK-UHFFFAOYSA-N
XLogP3.00
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.73
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[methyl(propan-2-yl)amino]quinoxaline-6-carbonitrile?
The IUPAC name of 2-chloro-3-[methyl(propan-2-yl)amino]quinoxaline-6-carbonitrile (CID 86670228) is 2-chloro-3-[methyl(propan-2-yl)amino]quinoxaline-6-carbonitrile.
What is the SMILES notation for 2-chloro-3-[methyl(propan-2-yl)amino]quinoxaline-6-carbonitrile?
The canonical SMILES for 2-chloro-3-[methyl(propan-2-yl)amino]quinoxaline-6-carbonitrile is CC(C)N(C)c1nc2cc(C#N)ccc2nc1Cl.
What is the InChIKey of 2-chloro-3-[methyl(propan-2-yl)amino]quinoxaline-6-carbonitrile?
The InChIKey is POPKOVWOVSVSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4/c1-8(2)18(3)13-12(14)16-10-5-4-9(7-15)6-11(10)17-13/h4-6,8H,1-3H3.
What are the key properties of 2-chloro-3-[methyl(propan-2-yl)amino]quinoxaline-6-carbonitrile?
2-chloro-3-[methyl(propan-2-yl)amino]quinoxaline-6-carbonitrile has a molecular weight of 260.73 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[methyl(propan-2-yl)amino]quinoxaline-6-carbonitrile is sourced from PubChem (CID 86670228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).