4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-5,6-diphenyl-3,4-dihydro-1H-pyridin-2-one

C25H22N2O5 — CID 56644284

IUPAC4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-5,6-diphenyl-3,4-dihydro-1H-pyridin-2-one
SMILESCCOc1cc(C2CC(=O)NC(c3ccccc3)=C2c2ccccc2)cc([N+](=O)[O-])c1O
InChIInChI=1S/C25H22N2O5/c1-2-32-21-14-18(13-20(25(21)29)27(30)31)19-15-22(28)26-24(17-11-7-4-8-12-17)23(19)16-9-5-3-6-10-16/h3-14,19,29H,2,15H2,1H3,(H,26,28)
InChIKeySMHHZAHRESKSFJ-UHFFFAOYSA-N
MW430.46 g/mol
LogP4.87
Rot. Bonds6

About 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-5,6-diphenyl-3,4-dihydro-1H-pyridin-2-one

4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-5,6-diphenyl-3,4-dihydro-1H-pyridin-2-one (PubChem CID 56644284) has the molecular formula C25H22N2O5 and a molecular weight of 430.46 g/mol. Its IUPAC name is 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-5,6-diphenyl-3,4-dihydro-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-5,6-diphenyl-3,4-dihydro-1H-pyridin-2-one
PubChem CID56644284
Molecular FormulaC25H22N2O5
Molecular Weight430.46 g/mol
Exact Mass430.15
IUPAC Name4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-5,6-diphenyl-3,4-dihydro-1H-pyridin-2-one
SMILESCCOc1cc(C2CC(=O)NC(c3ccccc3)=C2c2ccccc2)cc([N+](=O)[O-])c1O
InChIInChI=1S/C25H22N2O5/c1-2-32-21-14-18(13-20(25(21)29)27(30)31)19-15-22(28)26-24(17-11-7-4-8-12-17)23(19)16-9-5-3-6-10-16/h3-14,19,29H,2,15H2,1H3,(H,26,28)
InChIKeySMHHZAHRESKSFJ-UHFFFAOYSA-N
XLogP4.87
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-[4-hydroxy-3-(2-hydroxyethoxy)-5-nitrophenyl]-5,6-diphenyl-3,4-dihydro-1H-pyridin-2-one
CID 56644700
4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-5-phenyl-6-(4-phenylphenyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 51347933
4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-6-(4-hydroxyphenyl)-5-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 51348213
4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-5-(2-fluorophenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 51347478
3-[4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2-oxo-5-phenyl-3,4-dihydro-1H-pyrimidin-6-yl]benzonitrile
CID 51348217
(4R,7R)-7-(2,5-dimethoxyphenyl)-4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 28700874
2-ethoxy-4-[5-(3-ethylphenyl)-6-phenyl-1,4-dihydropyrimidin-4-yl]-6-nitrophenol
CID 66824720
9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-3,3,6,6-tetramethyl-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 126037052
methyl 4-(3,4-diethoxy-5-nitrophenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110845500
6-(3-ethoxy-4-hydroxy-5-nitrophenyl)-9-(4-methylphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CID 2936701
(4R,7R)-7-(3,4-dimethoxyphenyl)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 28789943
(6S,9S)-6-(3-ethoxy-4-hydroxy-5-nitrophenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CID 1239739

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-5,6-diphenyl-3,4-dihydro-1H-pyridin-2-one?
The IUPAC name of 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-5,6-diphenyl-3,4-dihydro-1H-pyridin-2-one (CID 56644284) is 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-5,6-diphenyl-3,4-dihydro-1H-pyridin-2-one.
What is the SMILES notation for 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-5,6-diphenyl-3,4-dihydro-1H-pyridin-2-one?
The canonical SMILES for 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-5,6-diphenyl-3,4-dihydro-1H-pyridin-2-one is CCOc1cc(C2CC(=O)NC(c3ccccc3)=C2c2ccccc2)cc([N+](=O)[O-])c1O.
What is the InChIKey of 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-5,6-diphenyl-3,4-dihydro-1H-pyridin-2-one?
The InChIKey is SMHHZAHRESKSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O5/c1-2-32-21-14-18(13-20(25(21)29)27(30)31)19-15-22(28)26-24(17-11-7-4-8-12-17)23(19)16-9-5-3-6-10-16/h3-14,19,29H,2,15H2,1H3,(H,26,28).
What are the key properties of 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-5,6-diphenyl-3,4-dihydro-1H-pyridin-2-one?
4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-5,6-diphenyl-3,4-dihydro-1H-pyridin-2-one has a molecular weight of 430.46 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-5,6-diphenyl-3,4-dihydro-1H-pyridin-2-one is sourced from PubChem (CID 56644284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).