4-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one

C22H23N3O3 — CID 24682318

IUPAC4-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one
SMILESCC(C(=O)N1CC(=O)Nc2ccccc21)N1CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C22H23N3O3/c1-15(22(28)25-14-21(27)23-19-4-2-3-5-20(19)25)24-12-10-17(11-13-24)16-6-8-18(26)9-7-16/h2-10,15,26H,11-14H2,1H3,(H,23,27)
InChIKeyHAWKWNFJJJKIQJ-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.86
Rot. Bonds3

About 4-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one

4-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 24682318) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 4-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one
PubChem CID24682318
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name4-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one
SMILESCC(C(=O)N1CC(=O)Nc2ccccc21)N1CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C22H23N3O3/c1-15(22(28)25-14-21(27)23-19-4-2-3-5-20(19)25)24-12-10-17(11-13-24)16-6-8-18(26)9-7-16/h2-10,15,26H,11-14H2,1H3,(H,23,27)
InChIKeyHAWKWNFJJJKIQJ-UHFFFAOYSA-N
XLogP2.86
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one with MolForge

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Related Compounds

4-[(2S)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 124618311
4-[(2R)-2-(azepan-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 26613483
4-[2-(4-methyl-3-oxopiperazin-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 154861557
4-[(2S)-2-bromo-3-methylbutanoyl]-1,3-dihydroquinoxalin-2-one
CID 28822186
4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one
CID 107902910
4-[(2R)-2-[4-(2-methoxyethyl)piperazin-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 95309206
methyl 1-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]piperidine-4-carboxylate
CID 8754651
2,3-dimethyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoic acid
CID 103495892
ethyl (3S)-1-[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]piperidine-3-carboxylate
CID 31314657
4-[2-(4-methylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 16864023
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]urea
CID 95040569
4-[(2R)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8641144

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one (CID 24682318) is 4-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one is CC(C(=O)N1CC(=O)Nc2ccccc21)N1CC=C(c2ccc(O)cc2)CC1.
What is the InChIKey of 4-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is HAWKWNFJJJKIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-15(22(28)25-14-21(27)23-19-4-2-3-5-20(19)25)24-12-10-17(11-13-24)16-6-8-18(26)9-7-16/h2-10,15,26H,11-14H2,1H3,(H,23,27).
What are the key properties of 4-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one?
4-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 377.44 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 24682318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).