4-[3-(4-propan-2-ylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one

C20H22N2O2 — CID 41453973

IUPAC4-[3-(4-propan-2-ylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
SMILESCC(C)c1ccc(CCC(=O)N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C20H22N2O2/c1-14(2)16-10-7-15(8-11-16)9-12-20(24)22-13-19(23)21-17-5-3-4-6-18(17)22/h3-8,10-11,14H,9,12-13H2,1-2H3,(H,21,23)
InChIKeyRWZKYMACYRBDQZ-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.73
Rot. Bonds4

About 4-[3-(4-propan-2-ylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one

4-[3-(4-propan-2-ylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 41453973) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-[3-(4-propan-2-ylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[3-(4-propan-2-ylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
PubChem CID41453973
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name4-[3-(4-propan-2-ylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
SMILESCC(C)c1ccc(CCC(=O)N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C20H22N2O2/c1-14(2)16-10-7-15(8-11-16)9-12-20(24)22-13-19(23)21-17-5-3-4-6-18(17)22/h3-8,10-11,14H,9,12-13H2,1-2H3,(H,21,23)
InChIKeyRWZKYMACYRBDQZ-UHFFFAOYSA-N
XLogP3.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(4-chlorophenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 51280680
4-[3-(4-methylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 41453577
4-[2-(4-methylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 16864023
4-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 9390348
1-(3-oxo-2,4-dihydroquinoxalin-1-yl)-4-[4-(2-phenylethyl)piperazin-1-yl]butane-1,4-dione
CID 31952076
4-(2-naphthalen-2-ylacetyl)-1,3-dihydroquinoxalin-2-one
CID 16864035
N-[1-(2-chlorophenyl)ethyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 51175249
ethane;4-(3-phenylmethoxypropanoyl)-1,3-dihydroquinoxalin-2-one
CID 163261620
4-[2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one
CID 9133688
1-[4-(1-aminoethyl)piperidin-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione
CID 119519616
4-[2-(4-sulfanylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 107021927
4-(4-phenylsulfanylbutanoyl)-1,3-dihydroquinoxalin-2-one
CID 16863999

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-propan-2-ylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[3-(4-propan-2-ylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one (CID 41453973) is 4-[3-(4-propan-2-ylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[3-(4-propan-2-ylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[3-(4-propan-2-ylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one is CC(C)c1ccc(CCC(=O)N2CC(=O)Nc3ccccc32)cc1.
What is the InChIKey of 4-[3-(4-propan-2-ylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is RWZKYMACYRBDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14(2)16-10-7-15(8-11-16)9-12-20(24)22-13-19(23)21-17-5-3-4-6-18(17)22/h3-8,10-11,14H,9,12-13H2,1-2H3,(H,21,23).
What are the key properties of 4-[3-(4-propan-2-ylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one?
4-[3-(4-propan-2-ylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 322.41 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-propan-2-ylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 41453973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).