2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-(1H-pyrrol-2-yl)ethanone

C15H17N3O — CID 55235951

IUPAC2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
SMILESCN1CCN(CC(=O)c2ccc[nH]2)c2ccccc21
InChIInChI=1S/C15H17N3O/c1-17-9-10-18(14-7-3-2-6-13(14)17)11-15(19)12-5-4-8-16-12/h2-8,16H,9-11H2,1H3
InChIKeyILYNBCZVLINOQD-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.15
Rot. Bonds3

About 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-(1H-pyrrol-2-yl)ethanone

2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-(1H-pyrrol-2-yl)ethanone (PubChem CID 55235951) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-(1H-pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
PubChem CID55235951
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
SMILESCN1CCN(CC(=O)c2ccc[nH]2)c2ccccc21
InChIInChI=1S/C15H17N3O/c1-17-9-10-18(14-7-3-2-6-13(14)17)11-15(19)12-5-4-8-16-12/h2-8,16H,9-11H2,1H3
InChIKeyILYNBCZVLINOQD-UHFFFAOYSA-N
XLogP2.15
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-phenylethanone
CID 63776591
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-thiophen-2-ylethanone
CID 63778575
1-(3-bromophenyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone
CID 63777499
2-(4-methyl-1,4-diazepan-1-yl)-1-(1H-pyrrol-2-yl)ethanone
CID 43219820
N-(2-aminoethyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)acetamide
CID 63777833
2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-1-(1H-pyrrol-2-yl)ethanone
CID 25410523
4,4-dimethyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-3-one
CID 63778227
2-(3-propan-2-ylpyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
CID 115688439
2-[4-(dimethylamino)piperidin-1-yl]-1-(1H-pyrrol-2-yl)ethanone
CID 43797318
2-(4-pyridin-2-ylpiperazin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
CID 43219792
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-(oxolan-3-yl)ethanone
CID 104750805
2-ethoxy-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanoic acid
CID 63779171

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-(1H-pyrrol-2-yl)ethanone?
The IUPAC name of 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-(1H-pyrrol-2-yl)ethanone (CID 55235951) is 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-(1H-pyrrol-2-yl)ethanone.
What is the SMILES notation for 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-(1H-pyrrol-2-yl)ethanone?
The canonical SMILES for 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-(1H-pyrrol-2-yl)ethanone is CN1CCN(CC(=O)c2ccc[nH]2)c2ccccc21.
What is the InChIKey of 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-(1H-pyrrol-2-yl)ethanone?
The InChIKey is ILYNBCZVLINOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-17-9-10-18(14-7-3-2-6-13(14)17)11-15(19)12-5-4-8-16-12/h2-8,16H,9-11H2,1H3.
What are the key properties of 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-(1H-pyrrol-2-yl)ethanone?
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-(1H-pyrrol-2-yl)ethanone has a molecular weight of 255.32 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-(1H-pyrrol-2-yl)ethanone is sourced from PubChem (CID 55235951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).