N-(4-chloro-1-methoxybutan-2-yl)quinoxalin-2-amine

C13H16ClN3O — CID 114150865

IUPACN-(4-chloro-1-methoxybutan-2-yl)quinoxalin-2-amine
SMILESCOCC(CCCl)Nc1cnc2ccccc2n1
InChIInChI=1S/C13H16ClN3O/c1-18-9-10(6-7-14)16-13-8-15-11-4-2-3-5-12(11)17-13/h2-5,8,10H,6-7,9H2,1H3,(H,16,17)
InChIKeyQBNLJSLIOLPHEP-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.69
Rot. Bonds6

About N-(4-chloro-1-methoxybutan-2-yl)quinoxalin-2-amine

N-(4-chloro-1-methoxybutan-2-yl)quinoxalin-2-amine (PubChem CID 114150865) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is N-(4-chloro-1-methoxybutan-2-yl)quinoxalin-2-amine.

Molecular Properties

Compound NameN-(4-chloro-1-methoxybutan-2-yl)quinoxalin-2-amine
PubChem CID114150865
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC NameN-(4-chloro-1-methoxybutan-2-yl)quinoxalin-2-amine
SMILESCOCC(CCCl)Nc1cnc2ccccc2n1
InChIInChI=1S/C13H16ClN3O/c1-18-9-10(6-7-14)16-13-8-15-11-4-2-3-5-12(11)17-13/h2-5,8,10H,6-7,9H2,1H3,(H,16,17)
InChIKeyQBNLJSLIOLPHEP-UHFFFAOYSA-N
XLogP2.69
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-chloro-1-methoxybutan-2-yl)quinoxalin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-chloro-4,4-dimethylpentan-3-yl)quinoxalin-2-amine
CID 106354521
N-(4-chloro-1-methoxybutan-2-yl)-1H-benzimidazol-2-amine
CID 106153820
N-(4-chloro-1-methoxybutan-2-yl)pyrido[2,3-b]pyrazin-6-amine
CID 106153854
N-(4-chloro-2-methylbutyl)quinoxalin-2-amine
CID 66089943
3-N-quinoxalin-2-ylpentane-1,3-diamine
CID 113496622
N-(4-chloro-1-methoxybutan-2-yl)pyridazin-3-amine
CID 106153817
2-(quinoxalin-2-ylamino)butan-1-ol
CID 47142817
3-N-(1,2,4-benzotriazin-3-yl)-4-methoxybutane-1,3-diamine
CID 106154714
N-(4-chloro-1-methoxybutan-2-yl)-4,6-dimethylpyrimidin-2-amine
CID 106153905
4-methyl-3-(quinoxalin-2-ylamino)pentan-1-ol
CID 113242419
N-(4-phenylbutan-2-yl)quinoxalin-2-amine
CID 60716412
N-(4-chloro-1-methoxybutan-2-yl)-3-ethoxypyridin-2-amine
CID 106154134

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1-methoxybutan-2-yl)quinoxalin-2-amine?
The IUPAC name of N-(4-chloro-1-methoxybutan-2-yl)quinoxalin-2-amine (CID 114150865) is N-(4-chloro-1-methoxybutan-2-yl)quinoxalin-2-amine.
What is the SMILES notation for N-(4-chloro-1-methoxybutan-2-yl)quinoxalin-2-amine?
The canonical SMILES for N-(4-chloro-1-methoxybutan-2-yl)quinoxalin-2-amine is COCC(CCCl)Nc1cnc2ccccc2n1.
What is the InChIKey of N-(4-chloro-1-methoxybutan-2-yl)quinoxalin-2-amine?
The InChIKey is QBNLJSLIOLPHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-18-9-10(6-7-14)16-13-8-15-11-4-2-3-5-12(11)17-13/h2-5,8,10H,6-7,9H2,1H3,(H,16,17).
What are the key properties of N-(4-chloro-1-methoxybutan-2-yl)quinoxalin-2-amine?
N-(4-chloro-1-methoxybutan-2-yl)quinoxalin-2-amine has a molecular weight of 265.74 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1-methoxybutan-2-yl)quinoxalin-2-amine is sourced from PubChem (CID 114150865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).