3-N-(3-chloro-4-fluorophenyl)quinoxaline-2,3-diamine

C14H10ClFN4 — CID 102983660

IUPAC3-N-(3-chloro-4-fluorophenyl)quinoxaline-2,3-diamine
SMILESNc1nc2ccccc2nc1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H10ClFN4/c15-9-7-8(5-6-10(9)16)18-14-13(17)19-11-3-1-2-4-12(11)20-14/h1-7H,(H2,17,19)(H,18,20)
InChIKeyYNFYHNADJBGLNY-UHFFFAOYSA-N
MW288.71 g/mol
LogP3.75
Rot. Bonds2

About 3-N-(3-chloro-4-fluorophenyl)quinoxaline-2,3-diamine

3-N-(3-chloro-4-fluorophenyl)quinoxaline-2,3-diamine (PubChem CID 102983660) has the molecular formula C14H10ClFN4 and a molecular weight of 288.71 g/mol. Its IUPAC name is 3-N-(3-chloro-4-fluorophenyl)quinoxaline-2,3-diamine.

Molecular Properties

Compound Name3-N-(3-chloro-4-fluorophenyl)quinoxaline-2,3-diamine
PubChem CID102983660
Molecular FormulaC14H10ClFN4
Molecular Weight288.71 g/mol
Exact Mass288.06
IUPAC Name3-N-(3-chloro-4-fluorophenyl)quinoxaline-2,3-diamine
SMILESNc1nc2ccccc2nc1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H10ClFN4/c15-9-7-8(5-6-10(9)16)18-14-13(17)19-11-3-1-2-4-12(11)20-14/h1-7H,(H2,17,19)(H,18,20)
InChIKeyYNFYHNADJBGLNY-UHFFFAOYSA-N
XLogP3.75
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(3-chloro-4-fluoroanilino)quinoxaline-2-carboxylate
CID 50764986
N-(3-chloro-4-fluorophenyl)quinazolin-4-amine
CID 725409
3-N-(2,4,5-trifluorophenyl)quinoxaline-2,3-diamine
CID 102986358
3-N-(2,6-dichlorophenyl)quinoxaline-2,3-diamine
CID 102986618
3-N-(4-methylphenyl)quinoxaline-2,3-diamine
CID 102985247
6-N-(3-chloro-4-fluorophenyl)-4-N-(3,4-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22546908
3-N-(3-iodophenyl)quinoxaline-2,3-diamine
CID 102985385
N-(3-chloro-4-fluorophenyl)quinolin-3-amine
CID 82536187
N-(3-chloro-4-fluorophenyl)-2-propan-2-ylquinazolin-4-amine
CID 21003823
6-N-(3-chloro-4-fluorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145485
3,5-dichloro-6-N-(3,4-difluorophenyl)pyridine-2,6-diamine
CID 102755062
2,5-dichloro-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 79632577

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-chloro-4-fluorophenyl)quinoxaline-2,3-diamine?
The IUPAC name of 3-N-(3-chloro-4-fluorophenyl)quinoxaline-2,3-diamine (CID 102983660) is 3-N-(3-chloro-4-fluorophenyl)quinoxaline-2,3-diamine.
What is the SMILES notation for 3-N-(3-chloro-4-fluorophenyl)quinoxaline-2,3-diamine?
The canonical SMILES for 3-N-(3-chloro-4-fluorophenyl)quinoxaline-2,3-diamine is Nc1nc2ccccc2nc1Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 3-N-(3-chloro-4-fluorophenyl)quinoxaline-2,3-diamine?
The InChIKey is YNFYHNADJBGLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4/c15-9-7-8(5-6-10(9)16)18-14-13(17)19-11-3-1-2-4-12(11)20-14/h1-7H,(H2,17,19)(H,18,20).
What are the key properties of 3-N-(3-chloro-4-fluorophenyl)quinoxaline-2,3-diamine?
3-N-(3-chloro-4-fluorophenyl)quinoxaline-2,3-diamine has a molecular weight of 288.71 g/mol, XLogP of 3.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-chloro-4-fluorophenyl)quinoxaline-2,3-diamine is sourced from PubChem (CID 102983660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).