6-(1-hydroxy-2-phenyl-1-pyridin-3-ylethyl)-3,4-dihydro-1H-quinolin-2-one

C22H20N2O2 — CID 19854739

IUPAC6-(1-hydroxy-2-phenyl-1-pyridin-3-ylethyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(O)(Cc3ccccc3)c3cccnc3)ccc2N1
InChIInChI=1S/C22H20N2O2/c25-21-11-8-17-13-18(9-10-20(17)24-21)22(26,19-7-4-12-23-15-19)14-16-5-2-1-3-6-16/h1-7,9-10,12-13,15,26H,8,11,14H2,(H,24,25)
InChIKeyKJJDSUZDTDEXMB-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.44
Rot. Bonds4

About 6-(1-hydroxy-2-phenyl-1-pyridin-3-ylethyl)-3,4-dihydro-1H-quinolin-2-one

6-(1-hydroxy-2-phenyl-1-pyridin-3-ylethyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 19854739) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 6-(1-hydroxy-2-phenyl-1-pyridin-3-ylethyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(1-hydroxy-2-phenyl-1-pyridin-3-ylethyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID19854739
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name6-(1-hydroxy-2-phenyl-1-pyridin-3-ylethyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(O)(Cc3ccccc3)c3cccnc3)ccc2N1
InChIInChI=1S/C22H20N2O2/c25-21-11-8-17-13-18(9-10-20(17)24-21)22(26,19-7-4-12-23-15-19)14-16-5-2-1-3-6-16/h1-7,9-10,12-13,15,26H,8,11,14H2,(H,24,25)
InChIKeyKJJDSUZDTDEXMB-UHFFFAOYSA-N
XLogP3.44
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1-hydroxy-2-phenyl-1-pyridin-3-ylethyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(1-hydroxy-2-phenyl-1-pyridin-3-ylethyl)-3,4-dihydro-1H-quinolin-2-one (CID 19854739) is 6-(1-hydroxy-2-phenyl-1-pyridin-3-ylethyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(1-hydroxy-2-phenyl-1-pyridin-3-ylethyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(1-hydroxy-2-phenyl-1-pyridin-3-ylethyl)-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C(O)(Cc3ccccc3)c3cccnc3)ccc2N1.
What is the InChIKey of 6-(1-hydroxy-2-phenyl-1-pyridin-3-ylethyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is KJJDSUZDTDEXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c25-21-11-8-17-13-18(9-10-20(17)24-21)22(26,19-7-4-12-23-15-19)14-16-5-2-1-3-6-16/h1-7,9-10,12-13,15,26H,8,11,14H2,(H,24,25).
What are the key properties of 6-(1-hydroxy-2-phenyl-1-pyridin-3-ylethyl)-3,4-dihydro-1H-quinolin-2-one?
6-(1-hydroxy-2-phenyl-1-pyridin-3-ylethyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 344.41 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-hydroxy-2-phenyl-1-pyridin-3-ylethyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 19854739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).