6-benzyl-8-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one

C21H18N2O — CID 89454476

IUPAC6-benzyl-8-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(Cc3ccccc3)cc(-c3cccnc3)c2N1
InChIInChI=1S/C21H18N2O/c24-20-9-8-17-12-16(11-15-5-2-1-3-6-15)13-19(21(17)23-20)18-7-4-10-22-14-18/h1-7,10,12-14H,8-9,11H2,(H,23,24)
InChIKeyWYDZYYXCUSHHRO-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.22
Rot. Bonds3

About 6-benzyl-8-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one

6-benzyl-8-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 89454476) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is 6-benzyl-8-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-benzyl-8-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one
PubChem CID89454476
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name6-benzyl-8-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(Cc3ccccc3)cc(-c3cccnc3)c2N1
InChIInChI=1S/C21H18N2O/c24-20-9-8-17-12-16(11-15-5-2-1-3-6-15)13-19(21(17)23-20)18-7-4-10-22-14-18/h1-7,10,12-14H,8-9,11H2,(H,23,24)
InChIKeyWYDZYYXCUSHHRO-UHFFFAOYSA-N
XLogP4.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-8-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-benzyl-8-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one (CID 89454476) is 6-benzyl-8-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-benzyl-8-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-benzyl-8-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(Cc3ccccc3)cc(-c3cccnc3)c2N1.
What is the InChIKey of 6-benzyl-8-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is WYDZYYXCUSHHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/c24-20-9-8-17-12-16(11-15-5-2-1-3-6-15)13-19(21(17)23-20)18-7-4-10-22-14-18/h1-7,10,12-14H,8-9,11H2,(H,23,24).
What are the key properties of 6-benzyl-8-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one?
6-benzyl-8-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 314.39 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-8-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 89454476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).