[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-quinoxalin-6-ylmethanone

C19H21N5O — CID 163351656

IUPAC[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-quinoxalin-6-ylmethanone
SMILESCC(C)c1nccn1CC1CN(C(=O)c2ccc3nccnc3c2)C1
InChIInChI=1S/C19H21N5O/c1-13(2)18-22-7-8-23(18)10-14-11-24(12-14)19(25)15-3-4-16-17(9-15)21-6-5-20-16/h3-9,13-14H,10-12H2,1-2H3
InChIKeyUBLBDJNIMCIEJF-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.72
Rot. Bonds4

About [3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-quinoxalin-6-ylmethanone

[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-quinoxalin-6-ylmethanone (PubChem CID 163351656) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is [3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-quinoxalin-6-ylmethanone.

Molecular Properties

Compound Name[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-quinoxalin-6-ylmethanone
PubChem CID163351656
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-quinoxalin-6-ylmethanone
SMILESCC(C)c1nccn1CC1CN(C(=O)c2ccc3nccnc3c2)C1
InChIInChI=1S/C19H21N5O/c1-13(2)18-22-7-8-23(18)10-14-11-24(12-14)19(25)15-3-4-16-17(9-15)21-6-5-20-16/h3-9,13-14H,10-12H2,1-2H3
InChIKeyUBLBDJNIMCIEJF-UHFFFAOYSA-N
XLogP2.72
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-quinoxalin-6-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-quinoxalin-6-ylmethanone?
The IUPAC name of [3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-quinoxalin-6-ylmethanone (CID 163351656) is [3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-quinoxalin-6-ylmethanone.
What is the SMILES notation for [3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-quinoxalin-6-ylmethanone?
The canonical SMILES for [3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-quinoxalin-6-ylmethanone is CC(C)c1nccn1CC1CN(C(=O)c2ccc3nccnc3c2)C1.
What is the InChIKey of [3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-quinoxalin-6-ylmethanone?
The InChIKey is UBLBDJNIMCIEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-13(2)18-22-7-8-23(18)10-14-11-24(12-14)19(25)15-3-4-16-17(9-15)21-6-5-20-16/h3-9,13-14H,10-12H2,1-2H3.
What are the key properties of [3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-quinoxalin-6-ylmethanone?
[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-quinoxalin-6-ylmethanone has a molecular weight of 335.41 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-quinoxalin-6-ylmethanone is sourced from PubChem (CID 163351656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).