3-chloro-N-[(4-fluorophenyl)methyl]quinoxalin-2-amine

C15H11ClFN3 — CID 47001610

IUPAC3-chloro-N-[(4-fluorophenyl)methyl]quinoxalin-2-amine
SMILESFc1ccc(CNc2nc3ccccc3nc2Cl)cc1
InChIInChI=1S/C15H11ClFN3/c16-14-15(18-9-10-5-7-11(17)8-6-10)20-13-4-2-1-3-12(13)19-14/h1-8H,9H2,(H,18,20)
InChIKeyZJRAAFKMNVLSFZ-UHFFFAOYSA-N
MW287.73 g/mol
LogP4.03
Rot. Bonds3

About 3-chloro-N-[(4-fluorophenyl)methyl]quinoxalin-2-amine

3-chloro-N-[(4-fluorophenyl)methyl]quinoxalin-2-amine (PubChem CID 47001610) has the molecular formula C15H11ClFN3 and a molecular weight of 287.73 g/mol. Its IUPAC name is 3-chloro-N-[(4-fluorophenyl)methyl]quinoxalin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[(4-fluorophenyl)methyl]quinoxalin-2-amine
PubChem CID47001610
Molecular FormulaC15H11ClFN3
Molecular Weight287.73 g/mol
Exact Mass287.06
IUPAC Name3-chloro-N-[(4-fluorophenyl)methyl]quinoxalin-2-amine
SMILESFc1ccc(CNc2nc3ccccc3nc2Cl)cc1
InChIInChI=1S/C15H11ClFN3/c16-14-15(18-9-10-5-7-11(17)8-6-10)20-13-4-2-1-3-12(13)19-14/h1-8H,9H2,(H,18,20)
InChIKeyZJRAAFKMNVLSFZ-UHFFFAOYSA-N
XLogP4.03
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.73
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-fluorophenyl)methylamino]-1H-quinoxalin-2-one
CID 47000996
3-[[(3-chloroquinoxalin-2-yl)amino]methyl]benzoic acid
CID 108778334
3-chloro-N-prop-2-enylquinoxalin-2-amine
CID 10775263
4-bromo-N-[3-[(4-fluorophenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 25045627
4-fluoro-N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 1385919
N-[(3-chloro-4-fluorophenyl)methyl]-3-methylquinoxalin-2-amine
CID 62537479
2-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine
CID 79081337
N,1-bis[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 11595468
3-N-[(3-fluorophenyl)methyl]quinoxaline-2,3-diamine
CID 102983663
3-chloro-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]quinoxalin-2-amine
CID 108775820
N-[(4-ethylphenyl)methyl]-3-methylquinoxalin-2-amine
CID 106900035
2-[(3-chloroquinoxalin-2-yl)amino]acetyl iodide
CID 89193446

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-fluorophenyl)methyl]quinoxalin-2-amine?
The IUPAC name of 3-chloro-N-[(4-fluorophenyl)methyl]quinoxalin-2-amine (CID 47001610) is 3-chloro-N-[(4-fluorophenyl)methyl]quinoxalin-2-amine.
What is the SMILES notation for 3-chloro-N-[(4-fluorophenyl)methyl]quinoxalin-2-amine?
The canonical SMILES for 3-chloro-N-[(4-fluorophenyl)methyl]quinoxalin-2-amine is Fc1ccc(CNc2nc3ccccc3nc2Cl)cc1.
What is the InChIKey of 3-chloro-N-[(4-fluorophenyl)methyl]quinoxalin-2-amine?
The InChIKey is ZJRAAFKMNVLSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3/c16-14-15(18-9-10-5-7-11(17)8-6-10)20-13-4-2-1-3-12(13)19-14/h1-8H,9H2,(H,18,20).
What are the key properties of 3-chloro-N-[(4-fluorophenyl)methyl]quinoxalin-2-amine?
3-chloro-N-[(4-fluorophenyl)methyl]quinoxalin-2-amine has a molecular weight of 287.73 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-fluorophenyl)methyl]quinoxalin-2-amine is sourced from PubChem (CID 47001610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).