N-benzyl-3-chloroquinoxalin-2-amine

C15H12ClN3 — CID 14494309

IUPACN-benzyl-3-chloroquinoxalin-2-amine
SMILESClc1nc2ccccc2nc1NCc1ccccc1
InChIInChI=1S/C15H12ClN3/c16-14-15(17-10-11-6-2-1-3-7-11)19-13-9-5-4-8-12(13)18-14/h1-9H,10H2,(H,17,19)
InChIKeyRLTZIXDRQDJVBZ-UHFFFAOYSA-N
MW269.74 g/mol
LogP3.90
Rot. Bonds3

About N-benzyl-3-chloroquinoxalin-2-amine

N-benzyl-3-chloroquinoxalin-2-amine (PubChem CID 14494309) has the molecular formula C15H12ClN3 and a molecular weight of 269.74 g/mol. Its IUPAC name is N-benzyl-3-chloroquinoxalin-2-amine.

Molecular Properties

Compound NameN-benzyl-3-chloroquinoxalin-2-amine
PubChem CID14494309
Molecular FormulaC15H12ClN3
Molecular Weight269.74 g/mol
Exact Mass269.07
IUPAC NameN-benzyl-3-chloroquinoxalin-2-amine
SMILESClc1nc2ccccc2nc1NCc1ccccc1
InChIInChI=1S/C15H12ClN3/c16-14-15(17-10-11-6-2-1-3-7-11)19-13-9-5-4-8-12(13)18-14/h1-9H,10H2,(H,17,19)
InChIKeyRLTZIXDRQDJVBZ-UHFFFAOYSA-N
XLogP3.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-chloroquinoxalin-2-amine?
The IUPAC name of N-benzyl-3-chloroquinoxalin-2-amine (CID 14494309) is N-benzyl-3-chloroquinoxalin-2-amine.
What is the SMILES notation for N-benzyl-3-chloroquinoxalin-2-amine?
The canonical SMILES for N-benzyl-3-chloroquinoxalin-2-amine is Clc1nc2ccccc2nc1NCc1ccccc1.
What is the InChIKey of N-benzyl-3-chloroquinoxalin-2-amine?
The InChIKey is RLTZIXDRQDJVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3/c16-14-15(17-10-11-6-2-1-3-7-11)19-13-9-5-4-8-12(13)18-14/h1-9H,10H2,(H,17,19).
What are the key properties of N-benzyl-3-chloroquinoxalin-2-amine?
N-benzyl-3-chloroquinoxalin-2-amine has a molecular weight of 269.74 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-chloroquinoxalin-2-amine is sourced from PubChem (CID 14494309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).