(2,5-dichlorophenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone

C18H14Cl2N4O — CID 16609536

IUPAC(2,5-dichlorophenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone
SMILESCN1CCN(C(=O)c2cc(Cl)ccc2Cl)c2nc3ccccc3nc21
InChIInChI=1S/C18H14Cl2N4O/c1-23-8-9-24(18(25)12-10-11(19)6-7-13(12)20)17-16(23)21-14-4-2-3-5-15(14)22-17/h2-7,10H,8-9H2,1H3
InChIKeyLTJYBBNXEYPRHC-UHFFFAOYSA-N
MW373.24 g/mol
LogP4.03
Rot. Bonds1

About (2,5-dichlorophenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone

(2,5-dichlorophenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone (PubChem CID 16609536) has the molecular formula C18H14Cl2N4O and a molecular weight of 373.24 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone
PubChem CID16609536
Molecular FormulaC18H14Cl2N4O
Molecular Weight373.24 g/mol
Exact Mass372.05
IUPAC Name(2,5-dichlorophenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone
SMILESCN1CCN(C(=O)c2cc(Cl)ccc2Cl)c2nc3ccccc3nc21
InChIInChI=1S/C18H14Cl2N4O/c1-23-8-9-24(18(25)12-10-11(19)6-7-13(12)20)17-16(23)21-14-4-2-3-5-15(14)22-17/h2-7,10H,8-9H2,1H3
InChIKeyLTJYBBNXEYPRHC-UHFFFAOYSA-N
XLogP4.03
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone?
The IUPAC name of (2,5-dichlorophenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone (CID 16609536) is (2,5-dichlorophenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone.
What is the SMILES notation for (2,5-dichlorophenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone?
The canonical SMILES for (2,5-dichlorophenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone is CN1CCN(C(=O)c2cc(Cl)ccc2Cl)c2nc3ccccc3nc21.
What is the InChIKey of (2,5-dichlorophenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone?
The InChIKey is LTJYBBNXEYPRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O/c1-23-8-9-24(18(25)12-10-11(19)6-7-13(12)20)17-16(23)21-14-4-2-3-5-15(14)22-17/h2-7,10H,8-9H2,1H3.
What are the key properties of (2,5-dichlorophenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone?
(2,5-dichlorophenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone has a molecular weight of 373.24 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone is sourced from PubChem (CID 16609536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).