[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

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Related Compounds

(4-methylsulfanylphenyl)-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]methanone
CID 163353374
3-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidine-1-carbonyl]benzonitrile
CID 163353351
N-[4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidine-1-carbonyl]phenyl]acetamide
CID 163351639
(3-aminoazetidin-1-yl)-quinoxalin-6-ylmethanone
CID 63754364
(3,5-dichlorophenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492826
(4-methoxyphenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493400
[3-(fluoromethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
CID 163348189
[3-(aminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
CID 62875893
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl(quinoxalin-6-yl)methanone
CID 121184096
[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 90493403
(4-piperidin-1-ylsulfonylphenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492906
1,1-dimethyl-3-[(3S,4R)-4-propan-2-yl-1-(quinoxaline-6-carbonyl)pyrrolidin-3-yl]urea
CID 72895371

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).