6-(4-pyridin-4-ylquinolin-6-yl)-3,4-dihydro-1H-quinolin-2-one

C23H17N3O — CID 59860167

IUPAC6-(4-pyridin-4-ylquinolin-6-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(-c3ccc4nccc(-c5ccncc5)c4c3)ccc2N1
InChIInChI=1S/C23H17N3O/c27-23-6-3-18-13-16(1-4-21(18)26-23)17-2-5-22-20(14-17)19(9-12-25-22)15-7-10-24-11-8-15/h1-2,4-5,7-14H,3,6H2,(H,26,27)
InChIKeyMVOJFQBLTJAKLI-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.85
Rot. Bonds2

About 6-(4-pyridin-4-ylquinolin-6-yl)-3,4-dihydro-1H-quinolin-2-one

6-(4-pyridin-4-ylquinolin-6-yl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 59860167) has the molecular formula C23H17N3O and a molecular weight of 351.41 g/mol. Its IUPAC name is 6-(4-pyridin-4-ylquinolin-6-yl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(4-pyridin-4-ylquinolin-6-yl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID59860167
Molecular FormulaC23H17N3O
Molecular Weight351.41 g/mol
Exact Mass351.14
IUPAC Name6-(4-pyridin-4-ylquinolin-6-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(-c3ccc4nccc(-c5ccncc5)c4c3)ccc2N1
InChIInChI=1S/C23H17N3O/c27-23-6-3-18-13-16(1-4-21(18)26-23)17-2-5-22-20(14-17)19(9-12-25-22)15-7-10-24-11-8-15/h1-2,4-5,7-14H,3,6H2,(H,26,27)
InChIKeyMVOJFQBLTJAKLI-UHFFFAOYSA-N
XLogP4.85
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-pyridin-4-ylquinolin-6-yl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(4-pyridin-4-ylquinolin-6-yl)-3,4-dihydro-1H-quinolin-2-one (CID 59860167) is 6-(4-pyridin-4-ylquinolin-6-yl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(4-pyridin-4-ylquinolin-6-yl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(4-pyridin-4-ylquinolin-6-yl)-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(-c3ccc4nccc(-c5ccncc5)c4c3)ccc2N1.
What is the InChIKey of 6-(4-pyridin-4-ylquinolin-6-yl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is MVOJFQBLTJAKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O/c27-23-6-3-18-13-16(1-4-21(18)26-23)17-2-5-22-20(14-17)19(9-12-25-22)15-7-10-24-11-8-15/h1-2,4-5,7-14H,3,6H2,(H,26,27).
What are the key properties of 6-(4-pyridin-4-ylquinolin-6-yl)-3,4-dihydro-1H-quinolin-2-one?
6-(4-pyridin-4-ylquinolin-6-yl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 351.41 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-pyridin-4-ylquinolin-6-yl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 59860167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).