6-chloro-2-N,3-N-diethyl-7-(trifluoromethoxy)quinoxaline-2,3-diamine

C13H14ClF3N4O — CID 66981015

IUPAC6-chloro-2-N,3-N-diethyl-7-(trifluoromethoxy)quinoxaline-2,3-diamine
SMILESCCNc1nc2cc(Cl)c(OC(F)(F)F)cc2nc1NCC
InChIInChI=1S/C13H14ClF3N4O/c1-3-18-11-12(19-4-2)21-9-6-10(22-13(15,16)17)7(14)5-8(9)20-11/h5-6H,3-4H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyDHQSHDHBJBVWHK-UHFFFAOYSA-N
MW334.73 g/mol
LogP4.05
Rot. Bonds5

About 6-chloro-2-N,3-N-diethyl-7-(trifluoromethoxy)quinoxaline-2,3-diamine

6-chloro-2-N,3-N-diethyl-7-(trifluoromethoxy)quinoxaline-2,3-diamine (PubChem CID 66981015) has the molecular formula C13H14ClF3N4O and a molecular weight of 334.73 g/mol. Its IUPAC name is 6-chloro-2-N,3-N-diethyl-7-(trifluoromethoxy)quinoxaline-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N,3-N-diethyl-7-(trifluoromethoxy)quinoxaline-2,3-diamine
PubChem CID66981015
Molecular FormulaC13H14ClF3N4O
Molecular Weight334.73 g/mol
Exact Mass334.08
IUPAC Name6-chloro-2-N,3-N-diethyl-7-(trifluoromethoxy)quinoxaline-2,3-diamine
SMILESCCNc1nc2cc(Cl)c(OC(F)(F)F)cc2nc1NCC
InChIInChI=1S/C13H14ClF3N4O/c1-3-18-11-12(19-4-2)21-9-6-10(22-13(15,16)17)7(14)5-8(9)20-11/h5-6H,3-4H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyDHQSHDHBJBVWHK-UHFFFAOYSA-N
XLogP4.05
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.73
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-Chloro-N2,N3-diethyl-7-methoxyquinoxaline-2,3-diamine
CID 49830955
US10071988, Example 2
CID 130309368
N-butyl-3-chloro-7-methoxyquinoxalin-2-amine
CID 86055666
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-2-N,3-N-diethyl-7-prop-2-ynoxyquinoxaline-2,3-diamine
CID 87223765
7-Chloro-2,3-bis(ethylamino)quinoxalin-6-ol
CID 136187594
3-Amino-7-chloro-1,4-dihydroxy-6-methoxyquinoxaline-2-carbonitrile
CID 135516676

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,3-N-diethyl-7-(trifluoromethoxy)quinoxaline-2,3-diamine?
The IUPAC name of 6-chloro-2-N,3-N-diethyl-7-(trifluoromethoxy)quinoxaline-2,3-diamine (CID 66981015) is 6-chloro-2-N,3-N-diethyl-7-(trifluoromethoxy)quinoxaline-2,3-diamine.
What is the SMILES notation for 6-chloro-2-N,3-N-diethyl-7-(trifluoromethoxy)quinoxaline-2,3-diamine?
The canonical SMILES for 6-chloro-2-N,3-N-diethyl-7-(trifluoromethoxy)quinoxaline-2,3-diamine is CCNc1nc2cc(Cl)c(OC(F)(F)F)cc2nc1NCC.
What is the InChIKey of 6-chloro-2-N,3-N-diethyl-7-(trifluoromethoxy)quinoxaline-2,3-diamine?
The InChIKey is DHQSHDHBJBVWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N4O/c1-3-18-11-12(19-4-2)21-9-6-10(22-13(15,16)17)7(14)5-8(9)20-11/h5-6H,3-4H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 6-chloro-2-N,3-N-diethyl-7-(trifluoromethoxy)quinoxaline-2,3-diamine?
6-chloro-2-N,3-N-diethyl-7-(trifluoromethoxy)quinoxaline-2,3-diamine has a molecular weight of 334.73 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,3-N-diethyl-7-(trifluoromethoxy)quinoxaline-2,3-diamine is sourced from PubChem (CID 66981015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).