3,6-dichloro-N-ethyl-7-methoxyquinoxalin-2-amine

C11H11Cl2N3O — CID 56952222

IUPAC3,6-dichloro-N-ethyl-7-methoxyquinoxalin-2-amine
SMILESCCNc1nc2cc(OC)c(Cl)cc2nc1Cl
InChIInChI=1S/C11H11Cl2N3O/c1-3-14-11-10(13)15-7-4-6(12)9(17-2)5-8(7)16-11/h4-5H,3H2,1-2H3,(H,14,16)
InChIKeyJVJITJMJPWNPHC-UHFFFAOYSA-N
MW272.13 g/mol
LogP3.38
Rot. Bonds3

About 3,6-dichloro-N-ethyl-7-methoxyquinoxalin-2-amine

3,6-dichloro-N-ethyl-7-methoxyquinoxalin-2-amine (PubChem CID 56952222) has the molecular formula C11H11Cl2N3O and a molecular weight of 272.13 g/mol. Its IUPAC name is 3,6-dichloro-N-ethyl-7-methoxyquinoxalin-2-amine.

Molecular Properties

Compound Name3,6-dichloro-N-ethyl-7-methoxyquinoxalin-2-amine
PubChem CID56952222
Molecular FormulaC11H11Cl2N3O
Molecular Weight272.13 g/mol
Exact Mass271.03
IUPAC Name3,6-dichloro-N-ethyl-7-methoxyquinoxalin-2-amine
SMILESCCNc1nc2cc(OC)c(Cl)cc2nc1Cl
InChIInChI=1S/C11H11Cl2N3O/c1-3-14-11-10(13)15-7-4-6(12)9(17-2)5-8(7)16-11/h4-5H,3H2,1-2H3,(H,14,16)
InChIKeyJVJITJMJPWNPHC-UHFFFAOYSA-N
XLogP3.38
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 139451790
CID 139451790
(3-Chloro-phenyl)-(6,7-dimethoxy-quinoxalin-2-yl)-amine
CID 9861697
6-Chloro-N2,N3-diethyl-7-methoxyquinoxaline-2,3-diamine
CID 49830955
N-butyl-3-chloro-7-methoxyquinoxalin-2-amine
CID 86055666
N-benzyl-3-chloro-7-methoxyquinoxalin-2-amine
CID 86055668
6-chloro-2-N-ethyl-7-methoxy-3-N-(pyridin-3-ylmethyl)quinoxaline-2,3-diamine
CID 56952223
6-chloro-2-N-ethyl-7-methoxy-3-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoxaline-2,3-diamine
CID 56952335
6-chloro-2-N-ethyl-7-methoxy-3-N-[3-(4-methylpiperazin-1-yl)propyl]quinoxaline-2,3-diamine
CID 56952336
6-chloro-2-N-ethyl-7-methoxy-3-N-(3-pyrrolidin-1-ylpropyl)quinoxaline-2,3-diamine
CID 56952337
6-chloro-3-N-[5-(diethylamino)pentan-2-yl]-2-N-ethyl-7-methoxyquinoxaline-2,3-diamine
CID 56952429
6-chloro-N-ethyl-7-methoxy-3-thiophen-2-ylquinoxalin-2-amine
CID 56952532
6-chloro-N-ethyl-7-methoxy-3-(1-methylpyrazol-4-yl)quinoxalin-2-amine
CID 56952731

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-ethyl-7-methoxyquinoxalin-2-amine?
The IUPAC name of 3,6-dichloro-N-ethyl-7-methoxyquinoxalin-2-amine (CID 56952222) is 3,6-dichloro-N-ethyl-7-methoxyquinoxalin-2-amine.
What is the SMILES notation for 3,6-dichloro-N-ethyl-7-methoxyquinoxalin-2-amine?
The canonical SMILES for 3,6-dichloro-N-ethyl-7-methoxyquinoxalin-2-amine is CCNc1nc2cc(OC)c(Cl)cc2nc1Cl.
What is the InChIKey of 3,6-dichloro-N-ethyl-7-methoxyquinoxalin-2-amine?
The InChIKey is JVJITJMJPWNPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O/c1-3-14-11-10(13)15-7-4-6(12)9(17-2)5-8(7)16-11/h4-5H,3H2,1-2H3,(H,14,16).
What are the key properties of 3,6-dichloro-N-ethyl-7-methoxyquinoxalin-2-amine?
3,6-dichloro-N-ethyl-7-methoxyquinoxalin-2-amine has a molecular weight of 272.13 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-ethyl-7-methoxyquinoxalin-2-amine is sourced from PubChem (CID 56952222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).