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

C25H22N2O6 — CID 56644700

IUPAC4-[4-hydroxy-3-(2-hydroxyethoxy)-5-nitrophenyl]-5,6-diphenyl-3,4-dihydro-1H-pyridin-2-one
SMILESO=C1CC(c2cc(OCCO)c(O)c([N+](=O)[O-])c2)C(c2ccccc2)=C(c2ccccc2)N1
InChIInChI=1S/C25H22N2O6/c28-11-12-33-21-14-18(13-20(25(21)30)27(31)32)19-15-22(29)26-24(17-9-5-2-6-10-17)23(19)16-7-3-1-4-8-16/h1-10,13-14,19,28,30H,11-12,15H2,(H,26,29)
InChIKeyQQNMPVMAYGGUPS-UHFFFAOYSA-N
MW446.46 g/mol
LogP3.84
Rot. Bonds7

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

4-[4-hydroxy-3-(2-hydroxyethoxy)-5-nitrophenyl]-5,6-diphenyl-3,4-dihydro-1H-pyridin-2-one (PubChem CID 56644700) has the molecular formula C25H22N2O6 and a molecular weight of 446.46 g/mol. Its IUPAC name is 4-[4-hydroxy-3-(2-hydroxyethoxy)-5-nitrophenyl]-5,6-diphenyl-3,4-dihydro-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[4-hydroxy-3-(2-hydroxyethoxy)-5-nitrophenyl]-5,6-diphenyl-3,4-dihydro-1H-pyridin-2-one
PubChem CID56644700
Molecular FormulaC25H22N2O6
Molecular Weight446.46 g/mol
Exact Mass446.15
IUPAC Name4-[4-hydroxy-3-(2-hydroxyethoxy)-5-nitrophenyl]-5,6-diphenyl-3,4-dihydro-1H-pyridin-2-one
SMILESO=C1CC(c2cc(OCCO)c(O)c([N+](=O)[O-])c2)C(c2ccccc2)=C(c2ccccc2)N1
InChIInChI=1S/C25H22N2O6/c28-11-12-33-21-14-18(13-20(25(21)30)27(31)32)19-15-22(29)26-24(17-9-5-2-6-10-17)23(19)16-7-3-1-4-8-16/h1-10,13-14,19,28,30H,11-12,15H2,(H,26,29)
InChIKeyQQNMPVMAYGGUPS-UHFFFAOYSA-N
XLogP3.84
TPSA121.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 4-[4-hydroxy-3-(2-hydroxyethoxy)-5-nitrophenyl]-5,6-diphenyl-3,4-dihydro-1H-pyridin-2-one?
The IUPAC name of 4-[4-hydroxy-3-(2-hydroxyethoxy)-5-nitrophenyl]-5,6-diphenyl-3,4-dihydro-1H-pyridin-2-one (CID 56644700) is 4-[4-hydroxy-3-(2-hydroxyethoxy)-5-nitrophenyl]-5,6-diphenyl-3,4-dihydro-1H-pyridin-2-one.
What is the SMILES notation for 4-[4-hydroxy-3-(2-hydroxyethoxy)-5-nitrophenyl]-5,6-diphenyl-3,4-dihydro-1H-pyridin-2-one?
The canonical SMILES for 4-[4-hydroxy-3-(2-hydroxyethoxy)-5-nitrophenyl]-5,6-diphenyl-3,4-dihydro-1H-pyridin-2-one is O=C1CC(c2cc(OCCO)c(O)c([N+](=O)[O-])c2)C(c2ccccc2)=C(c2ccccc2)N1.
What is the InChIKey of 4-[4-hydroxy-3-(2-hydroxyethoxy)-5-nitrophenyl]-5,6-diphenyl-3,4-dihydro-1H-pyridin-2-one?
The InChIKey is QQNMPVMAYGGUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O6/c28-11-12-33-21-14-18(13-20(25(21)30)27(31)32)19-15-22(29)26-24(17-9-5-2-6-10-17)23(19)16-7-3-1-4-8-16/h1-10,13-14,19,28,30H,11-12,15H2,(H,26,29).
What are the key properties of 4-[4-hydroxy-3-(2-hydroxyethoxy)-5-nitrophenyl]-5,6-diphenyl-3,4-dihydro-1H-pyridin-2-one?
4-[4-hydroxy-3-(2-hydroxyethoxy)-5-nitrophenyl]-5,6-diphenyl-3,4-dihydro-1H-pyridin-2-one has a molecular weight of 446.46 g/mol, XLogP of 3.84, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-hydroxy-3-(2-hydroxyethoxy)-5-nitrophenyl]-5,6-diphenyl-3,4-dihydro-1H-pyridin-2-one is sourced from PubChem (CID 56644700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).