2,3-dihydro-1H-isoindol-5-yl(isoquinolin-4-yl)methanone

C18H14N2O — CID 116612971

IUPAC2,3-dihydro-1H-isoindol-5-yl(isoquinolin-4-yl)methanone
SMILESO=C(c1ccc2c(c1)CNC2)c1cncc2ccccc12
InChIInChI=1S/C18H14N2O/c21-18(12-5-6-13-8-19-10-15(13)7-12)17-11-20-9-14-3-1-2-4-16(14)17/h1-7,9,11,19H,8,10H2
InChIKeyILYIDHWUYZJYTM-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.07
Rot. Bonds2

About 2,3-dihydro-1H-isoindol-5-yl(isoquinolin-4-yl)methanone

2,3-dihydro-1H-isoindol-5-yl(isoquinolin-4-yl)methanone (PubChem CID 116612971) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 2,3-dihydro-1H-isoindol-5-yl(isoquinolin-4-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-isoindol-5-yl(isoquinolin-4-yl)methanone
PubChem CID116612971
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name2,3-dihydro-1H-isoindol-5-yl(isoquinolin-4-yl)methanone
SMILESO=C(c1ccc2c(c1)CNC2)c1cncc2ccccc12
InChIInChI=1S/C18H14N2O/c21-18(12-5-6-13-8-19-10-15(13)7-12)17-11-20-9-14-3-1-2-4-16(14)17/h1-7,9,11,19H,8,10H2
InChIKeyILYIDHWUYZJYTM-UHFFFAOYSA-N
XLogP3.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-isoindol-5-yl(isoquinolin-4-yl)methanone?
The IUPAC name of 2,3-dihydro-1H-isoindol-5-yl(isoquinolin-4-yl)methanone (CID 116612971) is 2,3-dihydro-1H-isoindol-5-yl(isoquinolin-4-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-isoindol-5-yl(isoquinolin-4-yl)methanone?
The canonical SMILES for 2,3-dihydro-1H-isoindol-5-yl(isoquinolin-4-yl)methanone is O=C(c1ccc2c(c1)CNC2)c1cncc2ccccc12.
What is the InChIKey of 2,3-dihydro-1H-isoindol-5-yl(isoquinolin-4-yl)methanone?
The InChIKey is ILYIDHWUYZJYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c21-18(12-5-6-13-8-19-10-15(13)7-12)17-11-20-9-14-3-1-2-4-16(14)17/h1-7,9,11,19H,8,10H2.
What are the key properties of 2,3-dihydro-1H-isoindol-5-yl(isoquinolin-4-yl)methanone?
2,3-dihydro-1H-isoindol-5-yl(isoquinolin-4-yl)methanone has a molecular weight of 274.32 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-isoindol-5-yl(isoquinolin-4-yl)methanone is sourced from PubChem (CID 116612971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).