3-(3-oxo-4H-quinoxalin-2-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide

C22H25N3O2 — CID 19164914

IUPAC3-(3-oxo-4H-quinoxalin-2-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
SMILESCC(C)c1ccc(C(C)NC(=O)CCc2nc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C22H25N3O2/c1-14(2)16-8-10-17(11-9-16)15(3)23-21(26)13-12-20-22(27)25-19-7-5-4-6-18(19)24-20/h4-11,14-15H,12-13H2,1-3H3,(H,23,26)(H,25,27)
InChIKeyRMABNGCGCRQLAP-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.86
Rot. Bonds6

About 3-(3-oxo-4H-quinoxalin-2-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide

3-(3-oxo-4H-quinoxalin-2-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide (PubChem CID 19164914) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-(3-oxo-4H-quinoxalin-2-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-oxo-4H-quinoxalin-2-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
PubChem CID19164914
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name3-(3-oxo-4H-quinoxalin-2-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
SMILESCC(C)c1ccc(C(C)NC(=O)CCc2nc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C22H25N3O2/c1-14(2)16-8-10-17(11-9-16)15(3)23-21(26)13-12-20-22(27)25-19-7-5-4-6-18(19)24-20/h4-11,14-15H,12-13H2,1-3H3,(H,23,26)(H,25,27)
InChIKeyRMABNGCGCRQLAP-UHFFFAOYSA-N
XLogP3.86
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-oxo-4H-quinoxalin-2-yl)-N-(1-pyridin-4-ylethyl)propanamide
CID 110743916
N-[2,6-di(propan-2-yl)phenyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164657
N-(cyanomethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 82299514
N-(2,6-dimethylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164666
methyl 4-methylsulfanyl-2-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylamino]butanoate
CID 163060626
N-(2-ethylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164668
N-(4-methyl-2-pyridinyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164738
N-(4-ethoxyphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164677
3-(3-oxo-4H-quinoxalin-2-yl)-N-(1H-pyrrol-2-ylmethyl)propanamide
CID 110441148
N-[(E)-benzylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 6877145
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135711282
N-[(1-methylpyrrol-3-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110794130

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-4H-quinoxalin-2-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide?
The IUPAC name of 3-(3-oxo-4H-quinoxalin-2-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide (CID 19164914) is 3-(3-oxo-4H-quinoxalin-2-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(3-oxo-4H-quinoxalin-2-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(3-oxo-4H-quinoxalin-2-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide is CC(C)c1ccc(C(C)NC(=O)CCc2nc3ccccc3[nH]c2=O)cc1.
What is the InChIKey of 3-(3-oxo-4H-quinoxalin-2-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide?
The InChIKey is RMABNGCGCRQLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-14(2)16-8-10-17(11-9-16)15(3)23-21(26)13-12-20-22(27)25-19-7-5-4-6-18(19)24-20/h4-11,14-15H,12-13H2,1-3H3,(H,23,26)(H,25,27).
What are the key properties of 3-(3-oxo-4H-quinoxalin-2-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide?
3-(3-oxo-4H-quinoxalin-2-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide has a molecular weight of 363.46 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-4H-quinoxalin-2-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide is sourced from PubChem (CID 19164914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).