1-(4-methoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanone

C21H21N3O3S — CID 132587428

IUPAC1-(4-methoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanone
SMILESCOc1ccc(C(=O)CSc2nc3ccccc3nc2N2CCOCC2)cc1
InChIInChI=1S/C21H21N3O3S/c1-26-16-8-6-15(7-9-16)19(25)14-28-21-20(24-10-12-27-13-11-24)22-17-4-2-3-5-18(17)23-21/h2-9H,10-14H2,1H3
InChIKeyRMIFYYULGMWPSF-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.45
Rot. Bonds6

About 1-(4-methoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanone

1-(4-methoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanone (PubChem CID 132587428) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanone
PubChem CID132587428
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name1-(4-methoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanone
SMILESCOc1ccc(C(=O)CSc2nc3ccccc3nc2N2CCOCC2)cc1
InChIInChI=1S/C21H21N3O3S/c1-26-16-8-6-15(7-9-16)19(25)14-28-21-20(24-10-12-27-13-11-24)22-17-4-2-3-5-18(17)23-21/h2-9H,10-14H2,1H3
InChIKeyRMIFYYULGMWPSF-UHFFFAOYSA-N
XLogP3.45
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-methoxyphenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone
CID 7145313
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanone
CID 22332615
2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-1-morpholin-4-ylethanone
CID 22332579
1-(4-methoxyphenyl)-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]butane-1,4-dione
CID 108741298
3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-2-phenacylsulfanylquinazolin-4-one
CID 5096012
[2-(4-methoxyphenyl)-2-oxoethyl] morpholine-4-carbodithioate
CID 24894420
N-(2,4-dimethoxyphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide
CID 46365271
(4-methoxyphenyl)-(4-morpholin-4-ylphenyl)methanone
CID 22731230
1-(1,2-oxazolidin-2-yl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylethanone
CID 99701778
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(3-morpholin-4-ylquinoxalin-2-yl)sulfanyloxan-2-yl]methyl acetate
CID 51350219
[2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate
CID 46574851
N-(4-ethoxyphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide
CID 39886408

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanone?
The IUPAC name of 1-(4-methoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanone (CID 132587428) is 1-(4-methoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanone.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanone?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanone is COc1ccc(C(=O)CSc2nc3ccccc3nc2N2CCOCC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanone?
The InChIKey is RMIFYYULGMWPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-26-16-8-6-15(7-9-16)19(25)14-28-21-20(24-10-12-27-13-11-24)22-17-4-2-3-5-18(17)23-21/h2-9H,10-14H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanone?
1-(4-methoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanone has a molecular weight of 395.48 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanone is sourced from PubChem (CID 132587428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).