N-(3-imidazol-1-ylpropyl)-7-methylsulfonylimidazo[1,2-a]quinoxalin-4-amine

C17H18N6O2S — CID 5107541

IUPACN-(3-imidazol-1-ylpropyl)-7-methylsulfonylimidazo[1,2-a]quinoxalin-4-amine
SMILESCS(=O)(=O)c1ccc2c(c1)nc(NCCCn1ccnc1)c1nccn12
InChIInChI=1S/C17H18N6O2S/c1-26(24,25)13-3-4-15-14(11-13)21-16(17-20-7-10-23(15)17)19-5-2-8-22-9-6-18-12-22/h3-4,6-7,9-12H,2,5,8H2,1H3,(H,19,21)
InChIKeyDNLWYXZMPYMGKQ-UHFFFAOYSA-N
MW370.44 g/mol
LogP1.98
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-7-methylsulfonylimidazo[1,2-a]quinoxalin-4-amine

N-(3-imidazol-1-ylpropyl)-7-methylsulfonylimidazo[1,2-a]quinoxalin-4-amine (PubChem CID 5107541) has the molecular formula C17H18N6O2S and a molecular weight of 370.44 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-7-methylsulfonylimidazo[1,2-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-7-methylsulfonylimidazo[1,2-a]quinoxalin-4-amine
PubChem CID5107541
Molecular FormulaC17H18N6O2S
Molecular Weight370.44 g/mol
Exact Mass370.12
IUPAC NameN-(3-imidazol-1-ylpropyl)-7-methylsulfonylimidazo[1,2-a]quinoxalin-4-amine
SMILESCS(=O)(=O)c1ccc2c(c1)nc(NCCCn1ccnc1)c1nccn12
InChIInChI=1S/C17H18N6O2S/c1-26(24,25)13-3-4-15-14(11-13)21-16(17-20-7-10-23(15)17)19-5-2-8-22-9-6-18-12-22/h3-4,6-7,9-12H,2,5,8H2,1H3,(H,19,21)
InChIKeyDNLWYXZMPYMGKQ-UHFFFAOYSA-N
XLogP1.98
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-(3-imidazol-1-ylpropyl)-7-methylsulfonylimidazo[1,2-a]quinoxalin-4-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-7-methylsulfonylimidazo[1,2-a]quinoxalin-4-amine (CID 5107541) is N-(3-imidazol-1-ylpropyl)-7-methylsulfonylimidazo[1,2-a]quinoxalin-4-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-7-methylsulfonylimidazo[1,2-a]quinoxalin-4-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-7-methylsulfonylimidazo[1,2-a]quinoxalin-4-amine is CS(=O)(=O)c1ccc2c(c1)nc(NCCCn1ccnc1)c1nccn12.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-7-methylsulfonylimidazo[1,2-a]quinoxalin-4-amine?
The InChIKey is DNLWYXZMPYMGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2S/c1-26(24,25)13-3-4-15-14(11-13)21-16(17-20-7-10-23(15)17)19-5-2-8-22-9-6-18-12-22/h3-4,6-7,9-12H,2,5,8H2,1H3,(H,19,21).
What are the key properties of N-(3-imidazol-1-ylpropyl)-7-methylsulfonylimidazo[1,2-a]quinoxalin-4-amine?
N-(3-imidazol-1-ylpropyl)-7-methylsulfonylimidazo[1,2-a]quinoxalin-4-amine has a molecular weight of 370.44 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-7-methylsulfonylimidazo[1,2-a]quinoxalin-4-amine is sourced from PubChem (CID 5107541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).