6-chloro-2-N-ethyl-7-methoxy-3-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoxaline-2,3-diamine

C18H27ClN6O — CID 56952335

IUPAC6-chloro-2-N-ethyl-7-methoxy-3-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoxaline-2,3-diamine
SMILESCCNc1nc2cc(OC)c(Cl)cc2nc1NCCN1CCN(C)CC1
InChIInChI=1S/C18H27ClN6O/c1-4-20-17-18(21-5-6-25-9-7-24(2)8-10-25)22-14-11-13(19)16(26-3)12-15(14)23-17/h11-12H,4-10H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyCSJQTHDEHLCRBS-UHFFFAOYSA-N
MW378.91 g/mol
LogP2.38
Rot. Bonds7

About 6-chloro-2-N-ethyl-7-methoxy-3-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoxaline-2,3-diamine

6-chloro-2-N-ethyl-7-methoxy-3-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoxaline-2,3-diamine (PubChem CID 56952335) has the molecular formula C18H27ClN6O and a molecular weight of 378.91 g/mol. Its IUPAC name is 6-chloro-2-N-ethyl-7-methoxy-3-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoxaline-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N-ethyl-7-methoxy-3-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoxaline-2,3-diamine
PubChem CID56952335
Molecular FormulaC18H27ClN6O
Molecular Weight378.91 g/mol
Exact Mass378.19
IUPAC Name6-chloro-2-N-ethyl-7-methoxy-3-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoxaline-2,3-diamine
SMILESCCNc1nc2cc(OC)c(Cl)cc2nc1NCCN1CCN(C)CC1
InChIInChI=1S/C18H27ClN6O/c1-4-20-17-18(21-5-6-25-9-7-24(2)8-10-25)22-14-11-13(19)16(26-3)12-15(14)23-17/h11-12H,4-10H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyCSJQTHDEHLCRBS-UHFFFAOYSA-N
XLogP2.38
TPSA65.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.91
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-ethyl-7-methoxy-3-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoxaline-2,3-diamine?
The IUPAC name of 6-chloro-2-N-ethyl-7-methoxy-3-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoxaline-2,3-diamine (CID 56952335) is 6-chloro-2-N-ethyl-7-methoxy-3-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoxaline-2,3-diamine.
What is the SMILES notation for 6-chloro-2-N-ethyl-7-methoxy-3-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoxaline-2,3-diamine?
The canonical SMILES for 6-chloro-2-N-ethyl-7-methoxy-3-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoxaline-2,3-diamine is CCNc1nc2cc(OC)c(Cl)cc2nc1NCCN1CCN(C)CC1.
What is the InChIKey of 6-chloro-2-N-ethyl-7-methoxy-3-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoxaline-2,3-diamine?
The InChIKey is CSJQTHDEHLCRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN6O/c1-4-20-17-18(21-5-6-25-9-7-24(2)8-10-25)22-14-11-13(19)16(26-3)12-15(14)23-17/h11-12H,4-10H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 6-chloro-2-N-ethyl-7-methoxy-3-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoxaline-2,3-diamine?
6-chloro-2-N-ethyl-7-methoxy-3-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoxaline-2,3-diamine has a molecular weight of 378.91 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-ethyl-7-methoxy-3-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoxaline-2,3-diamine is sourced from PubChem (CID 56952335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).