[4-(butylamino)imidazo[1,2-a]quinoxalin-1-yl]methanol

C15H18N4O — CID 141155093

IUPAC[4-(butylamino)imidazo[1,2-a]quinoxalin-1-yl]methanol
SMILESCCCCNc1nc2ccccc2n2c(CO)cnc12
InChIInChI=1S/C15H18N4O/c1-2-3-8-16-14-15-17-9-11(10-20)19(15)13-7-5-4-6-12(13)18-14/h4-7,9,20H,2-3,8,10H2,1H3,(H,16,18)
InChIKeyJPQSFBJSXINVNO-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.59
Rot. Bonds5

About [4-(butylamino)imidazo[1,2-a]quinoxalin-1-yl]methanol

[4-(butylamino)imidazo[1,2-a]quinoxalin-1-yl]methanol (PubChem CID 141155093) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is [4-(butylamino)imidazo[1,2-a]quinoxalin-1-yl]methanol.

Molecular Properties

Compound Name[4-(butylamino)imidazo[1,2-a]quinoxalin-1-yl]methanol
PubChem CID141155093
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name[4-(butylamino)imidazo[1,2-a]quinoxalin-1-yl]methanol
SMILESCCCCNc1nc2ccccc2n2c(CO)cnc12
InChIInChI=1S/C15H18N4O/c1-2-3-8-16-14-15-17-9-11(10-20)19(15)13-7-5-4-6-12(13)18-14/h4-7,9,20H,2-3,8,10H2,1H3,(H,16,18)
InChIKeyJPQSFBJSXINVNO-UHFFFAOYSA-N
XLogP2.59
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 [4-(butylamino)imidazo[1,2-a]quinoxalin-1-yl]methanol?
The IUPAC name of [4-(butylamino)imidazo[1,2-a]quinoxalin-1-yl]methanol (CID 141155093) is [4-(butylamino)imidazo[1,2-a]quinoxalin-1-yl]methanol.
What is the SMILES notation for [4-(butylamino)imidazo[1,2-a]quinoxalin-1-yl]methanol?
The canonical SMILES for [4-(butylamino)imidazo[1,2-a]quinoxalin-1-yl]methanol is CCCCNc1nc2ccccc2n2c(CO)cnc12.
What is the InChIKey of [4-(butylamino)imidazo[1,2-a]quinoxalin-1-yl]methanol?
The InChIKey is JPQSFBJSXINVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-2-3-8-16-14-15-17-9-11(10-20)19(15)13-7-5-4-6-12(13)18-14/h4-7,9,20H,2-3,8,10H2,1H3,(H,16,18).
What are the key properties of [4-(butylamino)imidazo[1,2-a]quinoxalin-1-yl]methanol?
[4-(butylamino)imidazo[1,2-a]quinoxalin-1-yl]methanol has a molecular weight of 270.34 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(butylamino)imidazo[1,2-a]quinoxalin-1-yl]methanol is sourced from PubChem (CID 141155093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).