3-(3-methylimidazol-4-yl)-4-[(3,6,7-trimethylquinoxalin-2-yl)amino]butan-1-ol

C19H25N5O — CID 167810094

IUPAC3-(3-methylimidazol-4-yl)-4-[(3,6,7-trimethylquinoxalin-2-yl)amino]butan-1-ol
SMILESCc1cc2nc(C)c(NCC(CCO)c3cncn3C)nc2cc1C
InChIInChI=1S/C19H25N5O/c1-12-7-16-17(8-13(12)2)23-19(14(3)22-16)21-9-15(5-6-25)18-10-20-11-24(18)4/h7-8,10-11,15,25H,5-6,9H2,1-4H3,(H,21,23)
InChIKeyZENGJEGSEDPNQQ-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.87
Rot. Bonds6

About 3-(3-methylimidazol-4-yl)-4-[(3,6,7-trimethylquinoxalin-2-yl)amino]butan-1-ol

3-(3-methylimidazol-4-yl)-4-[(3,6,7-trimethylquinoxalin-2-yl)amino]butan-1-ol (PubChem CID 167810094) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-(3-methylimidazol-4-yl)-4-[(3,6,7-trimethylquinoxalin-2-yl)amino]butan-1-ol.

Molecular Properties

Compound Name3-(3-methylimidazol-4-yl)-4-[(3,6,7-trimethylquinoxalin-2-yl)amino]butan-1-ol
PubChem CID167810094
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name3-(3-methylimidazol-4-yl)-4-[(3,6,7-trimethylquinoxalin-2-yl)amino]butan-1-ol
SMILESCc1cc2nc(C)c(NCC(CCO)c3cncn3C)nc2cc1C
InChIInChI=1S/C19H25N5O/c1-12-7-16-17(8-13(12)2)23-19(14(3)22-16)21-9-15(5-6-25)18-10-20-11-24(18)4/h7-8,10-11,15,25H,5-6,9H2,1-4H3,(H,21,23)
InChIKeyZENGJEGSEDPNQQ-UHFFFAOYSA-N
XLogP2.87
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylimidazol-4-yl)-4-[(3,6,7-trimethylquinoxalin-2-yl)amino]butan-1-ol?
The IUPAC name of 3-(3-methylimidazol-4-yl)-4-[(3,6,7-trimethylquinoxalin-2-yl)amino]butan-1-ol (CID 167810094) is 3-(3-methylimidazol-4-yl)-4-[(3,6,7-trimethylquinoxalin-2-yl)amino]butan-1-ol.
What is the SMILES notation for 3-(3-methylimidazol-4-yl)-4-[(3,6,7-trimethylquinoxalin-2-yl)amino]butan-1-ol?
The canonical SMILES for 3-(3-methylimidazol-4-yl)-4-[(3,6,7-trimethylquinoxalin-2-yl)amino]butan-1-ol is Cc1cc2nc(C)c(NCC(CCO)c3cncn3C)nc2cc1C.
What is the InChIKey of 3-(3-methylimidazol-4-yl)-4-[(3,6,7-trimethylquinoxalin-2-yl)amino]butan-1-ol?
The InChIKey is ZENGJEGSEDPNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-12-7-16-17(8-13(12)2)23-19(14(3)22-16)21-9-15(5-6-25)18-10-20-11-24(18)4/h7-8,10-11,15,25H,5-6,9H2,1-4H3,(H,21,23).
What are the key properties of 3-(3-methylimidazol-4-yl)-4-[(3,6,7-trimethylquinoxalin-2-yl)amino]butan-1-ol?
3-(3-methylimidazol-4-yl)-4-[(3,6,7-trimethylquinoxalin-2-yl)amino]butan-1-ol has a molecular weight of 339.44 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylimidazol-4-yl)-4-[(3,6,7-trimethylquinoxalin-2-yl)amino]butan-1-ol is sourced from PubChem (CID 167810094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).