4-phenyl-3-[(E)-3-pyridin-4-ylprop-2-enoyl]-1H-quinolin-2-one

C23H16N2O2 — CID 75538876

IUPAC4-phenyl-3-[(E)-3-pyridin-4-ylprop-2-enoyl]-1H-quinolin-2-one
SMILESO=C(/C=C/c1ccncc1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O
InChIInChI=1S/C23H16N2O2/c26-20(11-10-16-12-14-24-15-13-16)22-21(17-6-2-1-3-7-17)18-8-4-5-9-19(18)25-23(22)27/h1-15H,(H,25,27)/b11-10+
InChIKeyHKFNYNBDIGSGRJ-ZHACJKMWSA-N
MW352.39 g/mol
LogP4.49
Rot. Bonds4

About 4-phenyl-3-[(E)-3-pyridin-4-ylprop-2-enoyl]-1H-quinolin-2-one

4-phenyl-3-[(E)-3-pyridin-4-ylprop-2-enoyl]-1H-quinolin-2-one (PubChem CID 75538876) has the molecular formula C23H16N2O2 and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-phenyl-3-[(E)-3-pyridin-4-ylprop-2-enoyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-phenyl-3-[(E)-3-pyridin-4-ylprop-2-enoyl]-1H-quinolin-2-one
PubChem CID75538876
Molecular FormulaC23H16N2O2
Molecular Weight352.39 g/mol
Exact Mass352.12
IUPAC Name4-phenyl-3-[(E)-3-pyridin-4-ylprop-2-enoyl]-1H-quinolin-2-one
SMILESO=C(/C=C/c1ccncc1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O
InChIInChI=1S/C23H16N2O2/c26-20(11-10-16-12-14-24-15-13-16)22-21(17-6-2-1-3-7-17)18-8-4-5-9-19(18)25-23(22)27/h1-15H,(H,25,27)/b11-10+
InChIKeyHKFNYNBDIGSGRJ-ZHACJKMWSA-N
XLogP4.49
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-[(E)-3-pyridin-4-ylprop-2-enoyl]-1H-quinolin-2-one?
The IUPAC name of 4-phenyl-3-[(E)-3-pyridin-4-ylprop-2-enoyl]-1H-quinolin-2-one (CID 75538876) is 4-phenyl-3-[(E)-3-pyridin-4-ylprop-2-enoyl]-1H-quinolin-2-one.
What is the SMILES notation for 4-phenyl-3-[(E)-3-pyridin-4-ylprop-2-enoyl]-1H-quinolin-2-one?
The canonical SMILES for 4-phenyl-3-[(E)-3-pyridin-4-ylprop-2-enoyl]-1H-quinolin-2-one is O=C(/C=C/c1ccncc1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O.
What is the InChIKey of 4-phenyl-3-[(E)-3-pyridin-4-ylprop-2-enoyl]-1H-quinolin-2-one?
The InChIKey is HKFNYNBDIGSGRJ-ZHACJKMWSA-N. The full InChI is InChI=1S/C23H16N2O2/c26-20(11-10-16-12-14-24-15-13-16)22-21(17-6-2-1-3-7-17)18-8-4-5-9-19(18)25-23(22)27/h1-15H,(H,25,27)/b11-10+.
What are the key properties of 4-phenyl-3-[(E)-3-pyridin-4-ylprop-2-enoyl]-1H-quinolin-2-one?
4-phenyl-3-[(E)-3-pyridin-4-ylprop-2-enoyl]-1H-quinolin-2-one has a molecular weight of 352.39 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-[(E)-3-pyridin-4-ylprop-2-enoyl]-1H-quinolin-2-one is sourced from PubChem (CID 75538876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).