6-isoquinolin-4-yl-3,4-dihydro-1H-quinolin-2-one

C18H14N2O — CID 25147692

IUPAC6-isoquinolin-4-yl-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(-c3cncc4ccccc34)ccc2N1
InChIInChI=1S/C18H14N2O/c21-18-8-6-13-9-12(5-7-17(13)20-18)16-11-19-10-14-3-1-2-4-15(14)16/h1-5,7,9-11H,6,8H2,(H,20,21)
InChIKeyTVVPAZUMRVMIFM-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.79
Rot. Bonds1

About 6-isoquinolin-4-yl-3,4-dihydro-1H-quinolin-2-one

6-isoquinolin-4-yl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 25147692) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 6-isoquinolin-4-yl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-isoquinolin-4-yl-3,4-dihydro-1H-quinolin-2-one
PubChem CID25147692
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name6-isoquinolin-4-yl-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(-c3cncc4ccccc34)ccc2N1
InChIInChI=1S/C18H14N2O/c21-18-8-6-13-9-12(5-7-17(13)20-18)16-11-19-10-14-3-1-2-4-15(14)16/h1-5,7,9-11H,6,8H2,(H,20,21)
InChIKeyTVVPAZUMRVMIFM-UHFFFAOYSA-N
XLogP3.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-isoquinolin-4-yl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-isoquinolin-4-yl-3,4-dihydro-1H-quinolin-2-one (CID 25147692) is 6-isoquinolin-4-yl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-isoquinolin-4-yl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-isoquinolin-4-yl-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(-c3cncc4ccccc34)ccc2N1.
What is the InChIKey of 6-isoquinolin-4-yl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is TVVPAZUMRVMIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c21-18-8-6-13-9-12(5-7-17(13)20-18)16-11-19-10-14-3-1-2-4-15(14)16/h1-5,7,9-11H,6,8H2,(H,20,21).
What are the key properties of 6-isoquinolin-4-yl-3,4-dihydro-1H-quinolin-2-one?
6-isoquinolin-4-yl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 274.32 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-isoquinolin-4-yl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 25147692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).