N-butyl-3-chloro-7-methoxyquinoxalin-2-amine

C13H16ClN3O — CID 86055666

IUPACN-butyl-3-chloro-7-methoxyquinoxalin-2-amine
SMILESCCCCNc1nc2cc(OC)ccc2nc1Cl
InChIInChI=1S/C13H16ClN3O/c1-3-4-7-15-13-12(14)16-10-6-5-9(18-2)8-11(10)17-13/h5-6,8H,3-4,7H2,1-2H3,(H,15,17)
InChIKeySISWURDPHCVGBY-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.50
Rot. Bonds5

About N-butyl-3-chloro-7-methoxyquinoxalin-2-amine

N-butyl-3-chloro-7-methoxyquinoxalin-2-amine (PubChem CID 86055666) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is N-butyl-3-chloro-7-methoxyquinoxalin-2-amine.

Molecular Properties

Compound NameN-butyl-3-chloro-7-methoxyquinoxalin-2-amine
PubChem CID86055666
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC NameN-butyl-3-chloro-7-methoxyquinoxalin-2-amine
SMILESCCCCNc1nc2cc(OC)ccc2nc1Cl
InChIInChI=1S/C13H16ClN3O/c1-3-4-7-15-13-12(14)16-10-6-5-9(18-2)8-11(10)17-13/h5-6,8H,3-4,7H2,1-2H3,(H,15,17)
InChIKeySISWURDPHCVGBY-UHFFFAOYSA-N
XLogP3.50
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 6-[(3-chloro-7-methoxyquinoxalin-2-yl)amino]hexanoate
CID 158488218
N-[3-(hydroxyamino)-6-methoxyquinoxalin-2-yl]hydroxylamine
CID 135778350
2,3-dichloro-N-(3-chloro-7-methoxyquinoxalin-2-yl)benzenesulfonamide
CID 86612114
N-butyl-7-methoxy-2-(trifluoromethyl)quinazolin-4-amine
CID 110431380
N-butyl-6-methoxyquinazolin-2-amine
CID 141287869
6-methoxy-N,3-dipropylquinolin-2-amine
CID 63523658
N-butyl-6-chloro-2-methoxyacridin-9-amine;ethane
CID 166169543
7-methoxy-N-(3-methylbutyl)-3-methylsulfanylquinoxalin-2-amine
CID 118726519
1-(2-chloro-6-methoxyquinolin-3-yl)pentan-1-ol
CID 132776082
7-methoxy-3-(methoxymethyl)-N-propylquinolin-2-amine
CID 62194206
6-methoxy-2-(propylamino)quinoline-3-carbaldehyde
CID 86669817
2-chloro-6-methoxy-3-propylquinoline
CID 63231530

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-chloro-7-methoxyquinoxalin-2-amine?
The IUPAC name of N-butyl-3-chloro-7-methoxyquinoxalin-2-amine (CID 86055666) is N-butyl-3-chloro-7-methoxyquinoxalin-2-amine.
What is the SMILES notation for N-butyl-3-chloro-7-methoxyquinoxalin-2-amine?
The canonical SMILES for N-butyl-3-chloro-7-methoxyquinoxalin-2-amine is CCCCNc1nc2cc(OC)ccc2nc1Cl.
What is the InChIKey of N-butyl-3-chloro-7-methoxyquinoxalin-2-amine?
The InChIKey is SISWURDPHCVGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-3-4-7-15-13-12(14)16-10-6-5-9(18-2)8-11(10)17-13/h5-6,8H,3-4,7H2,1-2H3,(H,15,17).
What are the key properties of N-butyl-3-chloro-7-methoxyquinoxalin-2-amine?
N-butyl-3-chloro-7-methoxyquinoxalin-2-amine has a molecular weight of 265.74 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-chloro-7-methoxyquinoxalin-2-amine is sourced from PubChem (CID 86055666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).