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

C15H14N2O — CID 668908

IUPAC3,4-dihydro-1H-isoquinolin-2-yl(pyridin-3-yl)methanone
SMILESO=C(c1cccnc1)N1CCc2ccccc2C1
InChIInChI=1S/C15H14N2O/c18-15(13-6-3-8-16-10-13)17-9-7-12-4-1-2-5-14(12)11-17/h1-6,8,10H,7,9,11H2
InChIKeyJOTBLKTWVIFNIB-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.28
Rot. Bonds1

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

3,4-dihydro-1H-isoquinolin-2-yl(pyridin-3-yl)methanone (PubChem CID 668908) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl(pyridin-3-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl(pyridin-3-yl)methanone
PubChem CID668908
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl(pyridin-3-yl)methanone
SMILESO=C(c1cccnc1)N1CCc2ccccc2C1
InChIInChI=1S/C15H14N2O/c18-15(13-6-3-8-16-10-13)17-9-7-12-4-1-2-5-14(12)11-17/h1-6,8,10H,7,9,11H2
InChIKeyJOTBLKTWVIFNIB-UHFFFAOYSA-N
XLogP2.28
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl(pyridin-3-yl)methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl(pyridin-3-yl)methanone (CID 668908) is 3,4-dihydro-1H-isoquinolin-2-yl(pyridin-3-yl)methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl(pyridin-3-yl)methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl(pyridin-3-yl)methanone is O=C(c1cccnc1)N1CCc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl(pyridin-3-yl)methanone?
The InChIKey is JOTBLKTWVIFNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c18-15(13-6-3-8-16-10-13)17-9-7-12-4-1-2-5-14(12)11-17/h1-6,8,10H,7,9,11H2.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl(pyridin-3-yl)methanone?
3,4-dihydro-1H-isoquinolin-2-yl(pyridin-3-yl)methanone has a molecular weight of 238.29 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl(pyridin-3-yl)methanone is sourced from PubChem (CID 668908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).