7-chloro-2-(ethylamino)-3-[2-(4-methylpiperazin-1-yl)ethylamino]quinoxaline-6-carbonitrile

C18H24ClN7 — CID 56952333

IUPAC7-chloro-2-(ethylamino)-3-[2-(4-methylpiperazin-1-yl)ethylamino]quinoxaline-6-carbonitrile
SMILESCCNc1nc2cc(Cl)c(C#N)cc2nc1NCCN1CCN(C)CC1
InChIInChI=1S/C18H24ClN7/c1-3-21-17-18(22-4-5-26-8-6-25(2)7-9-26)23-15-10-13(12-20)14(19)11-16(15)24-17/h10-11H,3-9H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyLQAUESUVBWMXIY-UHFFFAOYSA-N
MW373.89 g/mol
LogP2.25
Rot. Bonds6

About 7-chloro-2-(ethylamino)-3-[2-(4-methylpiperazin-1-yl)ethylamino]quinoxaline-6-carbonitrile

7-chloro-2-(ethylamino)-3-[2-(4-methylpiperazin-1-yl)ethylamino]quinoxaline-6-carbonitrile (PubChem CID 56952333) has the molecular formula C18H24ClN7 and a molecular weight of 373.89 g/mol. Its IUPAC name is 7-chloro-2-(ethylamino)-3-[2-(4-methylpiperazin-1-yl)ethylamino]quinoxaline-6-carbonitrile.

Molecular Properties

Compound Name7-chloro-2-(ethylamino)-3-[2-(4-methylpiperazin-1-yl)ethylamino]quinoxaline-6-carbonitrile
PubChem CID56952333
Molecular FormulaC18H24ClN7
Molecular Weight373.89 g/mol
Exact Mass373.18
IUPAC Name7-chloro-2-(ethylamino)-3-[2-(4-methylpiperazin-1-yl)ethylamino]quinoxaline-6-carbonitrile
SMILESCCNc1nc2cc(Cl)c(C#N)cc2nc1NCCN1CCN(C)CC1
InChIInChI=1S/C18H24ClN7/c1-3-21-17-18(22-4-5-26-8-6-25(2)7-9-26)23-15-10-13(12-20)14(19)11-16(15)24-17/h10-11H,3-9H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyLQAUESUVBWMXIY-UHFFFAOYSA-N
XLogP2.25
TPSA80.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.89
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(ethylamino)-3-[2-(4-methylpiperazin-1-yl)ethylamino]quinoxaline-6-carbonitrile?
The IUPAC name of 7-chloro-2-(ethylamino)-3-[2-(4-methylpiperazin-1-yl)ethylamino]quinoxaline-6-carbonitrile (CID 56952333) is 7-chloro-2-(ethylamino)-3-[2-(4-methylpiperazin-1-yl)ethylamino]quinoxaline-6-carbonitrile.
What is the SMILES notation for 7-chloro-2-(ethylamino)-3-[2-(4-methylpiperazin-1-yl)ethylamino]quinoxaline-6-carbonitrile?
The canonical SMILES for 7-chloro-2-(ethylamino)-3-[2-(4-methylpiperazin-1-yl)ethylamino]quinoxaline-6-carbonitrile is CCNc1nc2cc(Cl)c(C#N)cc2nc1NCCN1CCN(C)CC1.
What is the InChIKey of 7-chloro-2-(ethylamino)-3-[2-(4-methylpiperazin-1-yl)ethylamino]quinoxaline-6-carbonitrile?
The InChIKey is LQAUESUVBWMXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN7/c1-3-21-17-18(22-4-5-26-8-6-25(2)7-9-26)23-15-10-13(12-20)14(19)11-16(15)24-17/h10-11H,3-9H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 7-chloro-2-(ethylamino)-3-[2-(4-methylpiperazin-1-yl)ethylamino]quinoxaline-6-carbonitrile?
7-chloro-2-(ethylamino)-3-[2-(4-methylpiperazin-1-yl)ethylamino]quinoxaline-6-carbonitrile has a molecular weight of 373.89 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(ethylamino)-3-[2-(4-methylpiperazin-1-yl)ethylamino]quinoxaline-6-carbonitrile is sourced from PubChem (CID 56952333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).