N-benzyl-1,8-dimethylimidazo[1,2-a]quinoxalin-4-amine

C19H18N4 — CID 166416021

IUPACN-benzyl-1,8-dimethylimidazo[1,2-a]quinoxalin-4-amine
SMILESCc1ccc2nc(NCc3ccccc3)c3ncc(C)n3c2c1
InChIInChI=1S/C19H18N4/c1-13-8-9-16-17(10-13)23-14(2)11-21-19(23)18(22-16)20-12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,20,22)
InChIKeyWKHGYUOPFGRMJY-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.11
Rot. Bonds3

About N-benzyl-1,8-dimethylimidazo[1,2-a]quinoxalin-4-amine

N-benzyl-1,8-dimethylimidazo[1,2-a]quinoxalin-4-amine (PubChem CID 166416021) has the molecular formula C19H18N4 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-benzyl-1,8-dimethylimidazo[1,2-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN-benzyl-1,8-dimethylimidazo[1,2-a]quinoxalin-4-amine
PubChem CID166416021
Molecular FormulaC19H18N4
Molecular Weight302.38 g/mol
Exact Mass302.15
IUPAC NameN-benzyl-1,8-dimethylimidazo[1,2-a]quinoxalin-4-amine
SMILESCc1ccc2nc(NCc3ccccc3)c3ncc(C)n3c2c1
InChIInChI=1S/C19H18N4/c1-13-8-9-16-17(10-13)23-14(2)11-21-19(23)18(22-16)20-12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,20,22)
InChIKeyWKHGYUOPFGRMJY-UHFFFAOYSA-N
XLogP4.11
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Glu-P 1
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2-Amino-3,4,8-trimethylimidazo(4,5-f)quinoxaline
CID 104739
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Miransertib
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PF-4708671
CID 51371303
2-(Hydroxyamino)-1-methyl-6-phenylimidazo(4,5-b)pyridine
CID 104954

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,8-dimethylimidazo[1,2-a]quinoxalin-4-amine?
The IUPAC name of N-benzyl-1,8-dimethylimidazo[1,2-a]quinoxalin-4-amine (CID 166416021) is N-benzyl-1,8-dimethylimidazo[1,2-a]quinoxalin-4-amine.
What is the SMILES notation for N-benzyl-1,8-dimethylimidazo[1,2-a]quinoxalin-4-amine?
The canonical SMILES for N-benzyl-1,8-dimethylimidazo[1,2-a]quinoxalin-4-amine is Cc1ccc2nc(NCc3ccccc3)c3ncc(C)n3c2c1.
What is the InChIKey of N-benzyl-1,8-dimethylimidazo[1,2-a]quinoxalin-4-amine?
The InChIKey is WKHGYUOPFGRMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4/c1-13-8-9-16-17(10-13)23-14(2)11-21-19(23)18(22-16)20-12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,20,22).
What are the key properties of N-benzyl-1,8-dimethylimidazo[1,2-a]quinoxalin-4-amine?
N-benzyl-1,8-dimethylimidazo[1,2-a]quinoxalin-4-amine has a molecular weight of 302.38 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,8-dimethylimidazo[1,2-a]quinoxalin-4-amine is sourced from PubChem (CID 166416021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).