(2S)-2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]-N,3-diphenylpropanamide

C26H24N4O3 — CID 46233057

IUPAC(2S)-2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]-N,3-diphenylpropanamide
SMILESCc1nc2ccccc2n(CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)c1=O
InChIInChI=1S/C26H24N4O3/c1-18-26(33)30(23-15-9-8-14-21(23)27-18)17-24(31)29-22(16-19-10-4-2-5-11-19)25(32)28-20-12-6-3-7-13-20/h2-15,22H,16-17H2,1H3,(H,28,32)(H,29,31)/t22-/m0/s1
InChIKeyNIDUKJJGNGSXIT-QFIPXVFZSA-N
MW440.50 g/mol
LogP3.07
Rot. Bonds7

About (2S)-2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]-N,3-diphenylpropanamide

(2S)-2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]-N,3-diphenylpropanamide (PubChem CID 46233057) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is (2S)-2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]-N,3-diphenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]-N,3-diphenylpropanamide
PubChem CID46233057
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name(2S)-2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]-N,3-diphenylpropanamide
SMILESCc1nc2ccccc2n(CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)c1=O
InChIInChI=1S/C26H24N4O3/c1-18-26(33)30(23-15-9-8-14-21(23)27-18)17-24(31)29-22(16-19-10-4-2-5-11-19)25(32)28-20-12-6-3-7-13-20/h2-15,22H,16-17H2,1H3,(H,28,32)(H,29,31)/t22-/m0/s1
InChIKeyNIDUKJJGNGSXIT-QFIPXVFZSA-N
XLogP3.07
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]-N,3-diphenylpropanamide?
The IUPAC name of (2S)-2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]-N,3-diphenylpropanamide (CID 46233057) is (2S)-2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]-N,3-diphenylpropanamide.
What is the SMILES notation for (2S)-2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]-N,3-diphenylpropanamide?
The canonical SMILES for (2S)-2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]-N,3-diphenylpropanamide is Cc1nc2ccccc2n(CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)c1=O.
What is the InChIKey of (2S)-2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]-N,3-diphenylpropanamide?
The InChIKey is NIDUKJJGNGSXIT-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-18-26(33)30(23-15-9-8-14-21(23)27-18)17-24(31)29-22(16-19-10-4-2-5-11-19)25(32)28-20-12-6-3-7-13-20/h2-15,22H,16-17H2,1H3,(H,28,32)(H,29,31)/t22-/m0/s1.
What are the key properties of (2S)-2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]-N,3-diphenylpropanamide?
(2S)-2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]-N,3-diphenylpropanamide has a molecular weight of 440.50 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]-N,3-diphenylpropanamide is sourced from PubChem (CID 46233057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).