6-isoquinolin-4-yl-1-methyl-3,4-dihydroquinolin-2-one

C19H16N2O — CID 25147691

IUPAC6-isoquinolin-4-yl-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(-c3cncc4ccccc34)ccc21
InChIInChI=1S/C19H16N2O/c1-21-18-8-6-13(10-14(18)7-9-19(21)22)17-12-20-11-15-4-2-3-5-16(15)17/h2-6,8,10-12H,7,9H2,1H3
InChIKeyOMJFFUVBASUCJA-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.81
Rot. Bonds1

About 6-isoquinolin-4-yl-1-methyl-3,4-dihydroquinolin-2-one

6-isoquinolin-4-yl-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 25147691) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-isoquinolin-4-yl-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-isoquinolin-4-yl-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID25147691
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name6-isoquinolin-4-yl-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(-c3cncc4ccccc34)ccc21
InChIInChI=1S/C19H16N2O/c1-21-18-8-6-13(10-14(18)7-9-19(21)22)17-12-20-11-15-4-2-3-5-16(15)17/h2-6,8,10-12H,7,9H2,1H3
InChIKeyOMJFFUVBASUCJA-UHFFFAOYSA-N
XLogP3.81
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-isoquinolin-4-yl-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-isoquinolin-4-yl-1-methyl-3,4-dihydroquinolin-2-one (CID 25147691) is 6-isoquinolin-4-yl-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-isoquinolin-4-yl-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-isoquinolin-4-yl-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(-c3cncc4ccccc34)ccc21.
What is the InChIKey of 6-isoquinolin-4-yl-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is OMJFFUVBASUCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c1-21-18-8-6-13(10-14(18)7-9-19(21)22)17-12-20-11-15-4-2-3-5-16(15)17/h2-6,8,10-12H,7,9H2,1H3.
What are the key properties of 6-isoquinolin-4-yl-1-methyl-3,4-dihydroquinolin-2-one?
6-isoquinolin-4-yl-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 288.35 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-isoquinolin-4-yl-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 25147691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).