1-cyclopropyl-2-quinoxalin-2-ylethanone

C13H12N2O — CID 63355169

IUPAC1-cyclopropyl-2-quinoxalin-2-ylethanone
SMILESO=C(Cc1cnc2ccccc2n1)C1CC1
InChIInChI=1S/C13H12N2O/c16-13(9-5-6-9)7-10-8-14-11-3-1-2-4-12(11)15-10/h1-4,8-9H,5-7H2
InChIKeyCTBUZZISJCADAR-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.15
Rot. Bonds3

About 1-cyclopropyl-2-quinoxalin-2-ylethanone

1-cyclopropyl-2-quinoxalin-2-ylethanone (PubChem CID 63355169) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-cyclopropyl-2-quinoxalin-2-ylethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-quinoxalin-2-ylethanone
PubChem CID63355169
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name1-cyclopropyl-2-quinoxalin-2-ylethanone
SMILESO=C(Cc1cnc2ccccc2n1)C1CC1
InChIInChI=1S/C13H12N2O/c16-13(9-5-6-9)7-10-8-14-11-3-1-2-4-12(11)15-10/h1-4,8-9H,5-7H2
InChIKeyCTBUZZISJCADAR-UHFFFAOYSA-N
XLogP2.15
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(quinoxalin-2-ylmethyl)piperidine-2-carboxylic acid
CID 3611610
N-(5-chloro-3-tricyclo[2.2.1.02,6]heptanyl)-2-quinoxalin-2-ylacetamide
CID 139900741
1-[4-(quinoxalin-2-ylmethylamino)piperidin-1-yl]ethanone
CID 43791022
N-(quinoxalin-2-ylmethylideneamino)cyclopropanecarboxamide
CID 1223964
4-(quinoxalin-2-ylmethylamino)cyclohexan-1-ol
CID 43761694
(2R)-2-methyl-3-quinoxalin-2-ylpropanoic acid
CID 124512095
1-cyclopropyl-2-quinoxalin-2-ylethanamine
CID 63352950
(2E)-2-[cyclohexyl-[4-(quinoxalin-2-ylmethoxy)phenyl]methoxy]iminoacetic acid
CID 10788213
quinoxalin-2-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171942180
2-phenyl-N-(2-quinoxalin-2-ylethyl)acetamide
CID 130474108
2-[2-(2-chlorophenyl)ethyl]quinoxaline
CID 174432504
1-cyclopentyl-N-methyl-5-oxo-N-(quinoxalin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 70738906

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-quinoxalin-2-ylethanone?
The IUPAC name of 1-cyclopropyl-2-quinoxalin-2-ylethanone (CID 63355169) is 1-cyclopropyl-2-quinoxalin-2-ylethanone.
What is the SMILES notation for 1-cyclopropyl-2-quinoxalin-2-ylethanone?
The canonical SMILES for 1-cyclopropyl-2-quinoxalin-2-ylethanone is O=C(Cc1cnc2ccccc2n1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-quinoxalin-2-ylethanone?
The InChIKey is CTBUZZISJCADAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c16-13(9-5-6-9)7-10-8-14-11-3-1-2-4-12(11)15-10/h1-4,8-9H,5-7H2.
What are the key properties of 1-cyclopropyl-2-quinoxalin-2-ylethanone?
1-cyclopropyl-2-quinoxalin-2-ylethanone has a molecular weight of 212.25 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-quinoxalin-2-ylethanone is sourced from PubChem (CID 63355169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).