2-chloro-N-[3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-3-oxo-1-phenylpropyl]benzamide

C27H24ClN5O2 — CID 16623402

IUPAC2-chloro-N-[3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-3-oxo-1-phenylpropyl]benzamide
SMILESCN1CCN(C(=O)CC(NC(=O)c2ccccc2Cl)c2ccccc2)c2nc3ccccc3nc21
InChIInChI=1S/C27H24ClN5O2/c1-32-15-16-33(26-25(32)29-21-13-7-8-14-22(21)30-26)24(34)17-23(18-9-3-2-4-10-18)31-27(35)19-11-5-6-12-20(19)28/h2-14,23H,15-17H2,1H3,(H,31,35)
InChIKeyRXCLYOIRNPNLND-UHFFFAOYSA-N
MW485.98 g/mol
LogP4.63
Rot. Bonds5

About 2-chloro-N-[3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-3-oxo-1-phenylpropyl]benzamide

2-chloro-N-[3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-3-oxo-1-phenylpropyl]benzamide (PubChem CID 16623402) has the molecular formula C27H24ClN5O2 and a molecular weight of 485.98 g/mol. Its IUPAC name is 2-chloro-N-[3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-3-oxo-1-phenylpropyl]benzamide
PubChem CID16623402
Molecular FormulaC27H24ClN5O2
Molecular Weight485.98 g/mol
Exact Mass485.16
IUPAC Name2-chloro-N-[3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-3-oxo-1-phenylpropyl]benzamide
SMILESCN1CCN(C(=O)CC(NC(=O)c2ccccc2Cl)c2ccccc2)c2nc3ccccc3nc21
InChIInChI=1S/C27H24ClN5O2/c1-32-15-16-33(26-25(32)29-21-13-7-8-14-22(21)30-26)24(34)17-23(18-9-3-2-4-10-18)31-27(35)19-11-5-6-12-20(19)28/h2-14,23H,15-17H2,1H3,(H,31,35)
InChIKeyRXCLYOIRNPNLND-UHFFFAOYSA-N
XLogP4.63
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.98
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-3-oxo-1-phenylpropyl]benzamide (CID 16623402) is 2-chloro-N-[3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-3-oxo-1-phenylpropyl]benzamide is CN1CCN(C(=O)CC(NC(=O)c2ccccc2Cl)c2ccccc2)c2nc3ccccc3nc21.
What is the InChIKey of 2-chloro-N-[3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is RXCLYOIRNPNLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN5O2/c1-32-15-16-33(26-25(32)29-21-13-7-8-14-22(21)30-26)24(34)17-23(18-9-3-2-4-10-18)31-27(35)19-11-5-6-12-20(19)28/h2-14,23H,15-17H2,1H3,(H,31,35).
What are the key properties of 2-chloro-N-[3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-3-oxo-1-phenylpropyl]benzamide?
2-chloro-N-[3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 485.98 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 16623402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).