5-(2,3-dihydro-1H-isoindol-1-yl)quinoline

C17H14N2 — CID 81224318

IUPAC5-(2,3-dihydro-1H-isoindol-1-yl)quinoline
SMILESc1ccc2c(c1)CNC2c1cccc2ncccc12
InChIInChI=1S/C17H14N2/c1-2-6-13-12(5-1)11-19-17(13)15-7-3-9-16-14(15)8-4-10-18-16/h1-10,17,19H,11H2
InChIKeyXHWPVYDVDUIHKY-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.43
Rot. Bonds1

About 5-(2,3-dihydro-1H-isoindol-1-yl)quinoline

5-(2,3-dihydro-1H-isoindol-1-yl)quinoline (PubChem CID 81224318) has the molecular formula C17H14N2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-isoindol-1-yl)quinoline.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-isoindol-1-yl)quinoline
PubChem CID81224318
Molecular FormulaC17H14N2
Molecular Weight246.31 g/mol
Exact Mass246.12
IUPAC Name5-(2,3-dihydro-1H-isoindol-1-yl)quinoline
SMILESc1ccc2c(c1)CNC2c1cccc2ncccc12
InChIInChI=1S/C17H14N2/c1-2-6-13-12(5-1)11-19-17(13)15-7-3-9-16-14(15)8-4-10-18-16/h1-10,17,19H,11H2
InChIKeyXHWPVYDVDUIHKY-UHFFFAOYSA-N
XLogP3.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-isoindol-1-yl)quinoline?
The IUPAC name of 5-(2,3-dihydro-1H-isoindol-1-yl)quinoline (CID 81224318) is 5-(2,3-dihydro-1H-isoindol-1-yl)quinoline.
What is the SMILES notation for 5-(2,3-dihydro-1H-isoindol-1-yl)quinoline?
The canonical SMILES for 5-(2,3-dihydro-1H-isoindol-1-yl)quinoline is c1ccc2c(c1)CNC2c1cccc2ncccc12.
What is the InChIKey of 5-(2,3-dihydro-1H-isoindol-1-yl)quinoline?
The InChIKey is XHWPVYDVDUIHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2/c1-2-6-13-12(5-1)11-19-17(13)15-7-3-9-16-14(15)8-4-10-18-16/h1-10,17,19H,11H2.
What are the key properties of 5-(2,3-dihydro-1H-isoindol-1-yl)quinoline?
5-(2,3-dihydro-1H-isoindol-1-yl)quinoline has a molecular weight of 246.31 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-isoindol-1-yl)quinoline is sourced from PubChem (CID 81224318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).