1-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-2-(2-methylphenoxy)ethanone

C20H22N2O2 — CID 136533444

IUPAC1-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-2-(2-methylphenoxy)ethanone
SMILESCc1ccccc1OCC(=O)N1CCN(C2CC2)c2ccccc21
InChIInChI=1S/C20H22N2O2/c1-15-6-2-5-9-19(15)24-14-20(23)22-13-12-21(16-10-11-16)17-7-3-4-8-18(17)22/h2-9,16H,10-14H2,1H3
InChIKeyYSGUAZKRVMAKHX-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.39
Rot. Bonds4

About 1-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-2-(2-methylphenoxy)ethanone

1-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-2-(2-methylphenoxy)ethanone (PubChem CID 136533444) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-2-(2-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-2-(2-methylphenoxy)ethanone
PubChem CID136533444
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name1-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-2-(2-methylphenoxy)ethanone
SMILESCc1ccccc1OCC(=O)N1CCN(C2CC2)c2ccccc21
InChIInChI=1S/C20H22N2O2/c1-15-6-2-5-9-19(15)24-14-20(23)22-13-12-21(16-10-11-16)17-7-3-4-8-18(17)22/h2-9,16H,10-14H2,1H3
InChIKeyYSGUAZKRVMAKHX-UHFFFAOYSA-N
XLogP3.39
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenoxy)ethanone
CID 110709445
1-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-3-phenoxypropan-1-one
CID 110715196
1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(2-methylphenoxy)ethanone
CID 110714286
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7767831
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenoxy)ethanone
CID 19798381
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 2669189
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 110366114
2-methyl-1-[2-(2-methylphenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 79364360
1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 85026674
1-(2-ethylpiperidin-1-yl)-2-(2-methylphenoxy)ethanone
CID 112977253
ethyl 4-[2-(2-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 807890
2-(2,5-dimethylphenoxy)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone
CID 18272818

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-2-(2-methylphenoxy)ethanone?
The IUPAC name of 1-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-2-(2-methylphenoxy)ethanone (CID 136533444) is 1-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-2-(2-methylphenoxy)ethanone.
What is the SMILES notation for 1-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-2-(2-methylphenoxy)ethanone?
The canonical SMILES for 1-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-2-(2-methylphenoxy)ethanone is Cc1ccccc1OCC(=O)N1CCN(C2CC2)c2ccccc21.
What is the InChIKey of 1-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-2-(2-methylphenoxy)ethanone?
The InChIKey is YSGUAZKRVMAKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-15-6-2-5-9-19(15)24-14-20(23)22-13-12-21(16-10-11-16)17-7-3-4-8-18(17)22/h2-9,16H,10-14H2,1H3.
What are the key properties of 1-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-2-(2-methylphenoxy)ethanone?
1-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-2-(2-methylphenoxy)ethanone has a molecular weight of 322.41 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-2-(2-methylphenoxy)ethanone is sourced from PubChem (CID 136533444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).