1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one

C24H27N5O4S — CID 16623351

IUPAC1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one
SMILESCN1CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2nc3ccccc3nc21
InChIInChI=1S/C24H27N5O4S/c1-27-12-13-29(24-23(27)25-20-4-2-3-5-21(20)26-24)22(30)11-8-18-6-9-19(10-7-18)34(31,32)28-14-16-33-17-15-28/h2-7,9-10H,8,11-17H2,1H3
InChIKeyUHUANEVMEXOMRX-UHFFFAOYSA-N
MW481.58 g/mol
LogP2.07
Rot. Bonds5

About 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one

1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one (PubChem CID 16623351) has the molecular formula C24H27N5O4S and a molecular weight of 481.58 g/mol. Its IUPAC name is 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one
PubChem CID16623351
Molecular FormulaC24H27N5O4S
Molecular Weight481.58 g/mol
Exact Mass481.18
IUPAC Name1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one
SMILESCN1CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2nc3ccccc3nc21
InChIInChI=1S/C24H27N5O4S/c1-27-12-13-29(24-23(27)25-20-4-2-3-5-21(20)26-24)22(30)11-8-18-6-9-19(10-7-18)34(31,32)28-14-16-33-17-15-28/h2-7,9-10H,8,11-17H2,1H3
InChIKeyUHUANEVMEXOMRX-UHFFFAOYSA-N
XLogP2.07
TPSA95.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-3-phenylpropan-1-one
CID 16623296
(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 4855032
N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]quinoxalin-2-amine
CID 108775153
1-(2-methoxy-5-methyl-4-morpholin-4-yl-6,7-dihydropteridin-8-yl)-3-phenylpropan-1-one
CID 162475118
1-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one
CID 55653094
methyl 4-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate
CID 133239365
1-(3H-isoindol-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one
CID 157274569
N-(3-pyrrolidin-1-ylquinoxalin-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 24599956
N-(2-hydroxy-1-methylindol-3-yl)imino-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2352943
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55722672
(2-chloroquinolin-3-yl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 29352401

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one?
The IUPAC name of 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one (CID 16623351) is 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one.
What is the SMILES notation for 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one?
The canonical SMILES for 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one is CN1CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2nc3ccccc3nc21.
What is the InChIKey of 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one?
The InChIKey is UHUANEVMEXOMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4S/c1-27-12-13-29(24-23(27)25-20-4-2-3-5-21(20)26-24)22(30)11-8-18-6-9-19(10-7-18)34(31,32)28-14-16-33-17-15-28/h2-7,9-10H,8,11-17H2,1H3.
What are the key properties of 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one?
1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one has a molecular weight of 481.58 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one is sourced from PubChem (CID 16623351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).