7-isoquinolin-4-yl-2-methyl-2,3-dihydroinden-1-one

C19H15NO — CID 22172886

IUPAC7-isoquinolin-4-yl-2-methyl-2,3-dihydroinden-1-one
SMILESCC1Cc2cccc(-c3cncc4ccccc34)c2C1=O
InChIInChI=1S/C19H15NO/c1-12-9-13-6-4-8-16(18(13)19(12)21)17-11-20-10-14-5-2-3-7-15(14)17/h2-8,10-12H,9H2,1H3
InChIKeyFCQPAJRGNCKGCR-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.28
Rot. Bonds1

About 7-isoquinolin-4-yl-2-methyl-2,3-dihydroinden-1-one

7-isoquinolin-4-yl-2-methyl-2,3-dihydroinden-1-one (PubChem CID 22172886) has the molecular formula C19H15NO and a molecular weight of 273.34 g/mol. Its IUPAC name is 7-isoquinolin-4-yl-2-methyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name7-isoquinolin-4-yl-2-methyl-2,3-dihydroinden-1-one
PubChem CID22172886
Molecular FormulaC19H15NO
Molecular Weight273.34 g/mol
Exact Mass273.12
IUPAC Name7-isoquinolin-4-yl-2-methyl-2,3-dihydroinden-1-one
SMILESCC1Cc2cccc(-c3cncc4ccccc34)c2C1=O
InChIInChI=1S/C19H15NO/c1-12-9-13-6-4-8-16(18(13)19(12)21)17-11-20-10-14-5-2-3-7-15(14)17/h2-8,10-12H,9H2,1H3
InChIKeyFCQPAJRGNCKGCR-UHFFFAOYSA-N
XLogP4.28
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-isoquinolin-4-yl-2-methyl-2,3-dihydroinden-1-one?
The IUPAC name of 7-isoquinolin-4-yl-2-methyl-2,3-dihydroinden-1-one (CID 22172886) is 7-isoquinolin-4-yl-2-methyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 7-isoquinolin-4-yl-2-methyl-2,3-dihydroinden-1-one?
The canonical SMILES for 7-isoquinolin-4-yl-2-methyl-2,3-dihydroinden-1-one is CC1Cc2cccc(-c3cncc4ccccc34)c2C1=O.
What is the InChIKey of 7-isoquinolin-4-yl-2-methyl-2,3-dihydroinden-1-one?
The InChIKey is FCQPAJRGNCKGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO/c1-12-9-13-6-4-8-16(18(13)19(12)21)17-11-20-10-14-5-2-3-7-15(14)17/h2-8,10-12H,9H2,1H3.
What are the key properties of 7-isoquinolin-4-yl-2-methyl-2,3-dihydroinden-1-one?
7-isoquinolin-4-yl-2-methyl-2,3-dihydroinden-1-one has a molecular weight of 273.34 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-isoquinolin-4-yl-2-methyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 22172886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).