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

C17H15ClN2O2 — CID 51280680

IUPAC4-[3-(4-chlorophenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)CCc2ccc(Cl)cc2)c2ccccc2N1
InChIInChI=1S/C17H15ClN2O2/c18-13-8-5-12(6-9-13)7-10-17(22)20-11-16(21)19-14-3-1-2-4-15(14)20/h1-6,8-9H,7,10-11H2,(H,19,21)
InChIKeyUDXVVLPKMKYUQC-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.26
Rot. Bonds3

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

4-[3-(4-chlorophenyl)propanoyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 51280680) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)propanoyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
PubChem CID51280680
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name4-[3-(4-chlorophenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)CCc2ccc(Cl)cc2)c2ccccc2N1
InChIInChI=1S/C17H15ClN2O2/c18-13-8-5-12(6-9-13)7-10-17(22)20-11-16(21)19-14-3-1-2-4-15(14)20/h1-6,8-9H,7,10-11H2,(H,19,21)
InChIKeyUDXVVLPKMKYUQC-UHFFFAOYSA-N
XLogP3.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(4-methylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 41453577
4-[3-(4-propan-2-ylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 41453973
4-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 9390348
1-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione
CID 55474513
4-(6-aminohexanoyl)-1,3-dihydroquinoxalin-2-one
CID 28822275
1-(3-oxo-2,4-dihydroquinoxalin-1-yl)-4-[4-(2-phenylethyl)piperazin-1-yl]butane-1,4-dione
CID 31952076
N-(2-aminoethyl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-(2-phenylethyl)butanamide
CID 120886014
4-chloro-N-methyl-N-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]benzenesulfonamide
CID 51142515
4-[1-[(4-chlorophenyl)methyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one
CID 45007672
N-[5-chloro-2-(dimethylamino)phenyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 55360109
4-[2-(4-methylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 16864023
4-[2-(4-sulfanylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 107021927

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)propanoyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[3-(4-chlorophenyl)propanoyl]-1,3-dihydroquinoxalin-2-one (CID 51280680) is 4-[3-(4-chlorophenyl)propanoyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[3-(4-chlorophenyl)propanoyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[3-(4-chlorophenyl)propanoyl]-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)CCc2ccc(Cl)cc2)c2ccccc2N1.
What is the InChIKey of 4-[3-(4-chlorophenyl)propanoyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is UDXVVLPKMKYUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c18-13-8-5-12(6-9-13)7-10-17(22)20-11-16(21)19-14-3-1-2-4-15(14)20/h1-6,8-9H,7,10-11H2,(H,19,21).
What are the key properties of 4-[3-(4-chlorophenyl)propanoyl]-1,3-dihydroquinoxalin-2-one?
4-[3-(4-chlorophenyl)propanoyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 314.77 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)propanoyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 51280680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).