N-butyl-3-chloroquinoxalin-2-amine

C12H14ClN3 — CID 3782320

IUPACN-butyl-3-chloroquinoxalin-2-amine
SMILESCCCCNc1nc2ccccc2nc1Cl
InChIInChI=1S/C12H14ClN3/c1-2-3-8-14-12-11(13)15-9-6-4-5-7-10(9)16-12/h4-7H,2-3,8H2,1H3,(H,14,16)
InChIKeyLAYLJGOEUYBXMC-UHFFFAOYSA-N
MW235.72 g/mol
LogP3.50
Rot. Bonds4

About N-butyl-3-chloroquinoxalin-2-amine

N-butyl-3-chloroquinoxalin-2-amine (PubChem CID 3782320) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is N-butyl-3-chloroquinoxalin-2-amine.

Molecular Properties

Compound NameN-butyl-3-chloroquinoxalin-2-amine
PubChem CID3782320
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC NameN-butyl-3-chloroquinoxalin-2-amine
SMILESCCCCNc1nc2ccccc2nc1Cl
InChIInChI=1S/C12H14ClN3/c1-2-3-8-14-12-11(13)15-9-6-4-5-7-10(9)16-12/h4-7H,2-3,8H2,1H3,(H,14,16)
InChIKeyLAYLJGOEUYBXMC-UHFFFAOYSA-N
XLogP3.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-chloroquinoxalin-2-amine?
The IUPAC name of N-butyl-3-chloroquinoxalin-2-amine (CID 3782320) is N-butyl-3-chloroquinoxalin-2-amine.
What is the SMILES notation for N-butyl-3-chloroquinoxalin-2-amine?
The canonical SMILES for N-butyl-3-chloroquinoxalin-2-amine is CCCCNc1nc2ccccc2nc1Cl.
What is the InChIKey of N-butyl-3-chloroquinoxalin-2-amine?
The InChIKey is LAYLJGOEUYBXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-2-3-8-14-12-11(13)15-9-6-4-5-7-10(9)16-12/h4-7H,2-3,8H2,1H3,(H,14,16).
What are the key properties of N-butyl-3-chloroquinoxalin-2-amine?
N-butyl-3-chloroquinoxalin-2-amine has a molecular weight of 235.72 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-chloroquinoxalin-2-amine is sourced from PubChem (CID 3782320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).