3,6-dihydro-2H-pyridin-1-yl(isoquinolin-1-yl)methanone

C15H14N2O — CID 141178399

IUPAC3,6-dihydro-2H-pyridin-1-yl(isoquinolin-1-yl)methanone
SMILESO=C(c1nccc2ccccc12)N1CC=CCC1
InChIInChI=1S/C15H14N2O/c18-15(17-10-4-1-5-11-17)14-13-7-3-2-6-12(13)8-9-16-14/h1-4,6-9H,5,10-11H2
InChIKeyVMWHROGSWNUEGO-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.64
Rot. Bonds1

About 3,6-dihydro-2H-pyridin-1-yl(isoquinolin-1-yl)methanone

3,6-dihydro-2H-pyridin-1-yl(isoquinolin-1-yl)methanone (PubChem CID 141178399) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 3,6-dihydro-2H-pyridin-1-yl(isoquinolin-1-yl)methanone.

Molecular Properties

Compound Name3,6-dihydro-2H-pyridin-1-yl(isoquinolin-1-yl)methanone
PubChem CID141178399
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name3,6-dihydro-2H-pyridin-1-yl(isoquinolin-1-yl)methanone
SMILESO=C(c1nccc2ccccc12)N1CC=CCC1
InChIInChI=1S/C15H14N2O/c18-15(17-10-4-1-5-11-17)14-13-7-3-2-6-12(13)8-9-16-14/h1-4,6-9H,5,10-11H2
InChIKeyVMWHROGSWNUEGO-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3,4-dihydroxypyrrolidin-1-yl)-isoquinolin-1-ylmethanone
CID 106671738
[(3S)-3-hydroxypiperidin-1-yl]-isoquinolin-1-ylmethanone
CID 107224794
isoquinolin-1-yl-[3-(methylamino)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119413779
2-[4-(isoquinoline-1-carbonyl)piperazin-1-yl]acetonitrile
CID 63336720
2-[1-(isoquinoline-1-carbonyl)azetidin-3-yl]propanoic acid
CID 116680853
ethane;1-[1-(isoquinoline-1-carbonyl)piperidin-4-yl]ethanone
CID 145399194
(4-chloroquinolin-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114408574
isoquinoline-1-carboxamide;hydrochloride
CID 57458906
[(3R)-3-(2,6-difluorophenyl)pyrrolidin-1-yl]-isoquinolin-1-ylmethanone
CID 164633243
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(isoquinolin-1-yl)methanone
CID 47084025
1-(azepan-1-yl)-2-[4-(isoquinoline-1-carbonyl)piperazin-1-yl]ethanone
CID 60602385
[(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-isoquinolin-1-ylmethanone
CID 97205943

Frequently Asked Questions

What is the IUPAC name of 3,6-dihydro-2H-pyridin-1-yl(isoquinolin-1-yl)methanone?
The IUPAC name of 3,6-dihydro-2H-pyridin-1-yl(isoquinolin-1-yl)methanone (CID 141178399) is 3,6-dihydro-2H-pyridin-1-yl(isoquinolin-1-yl)methanone.
What is the SMILES notation for 3,6-dihydro-2H-pyridin-1-yl(isoquinolin-1-yl)methanone?
The canonical SMILES for 3,6-dihydro-2H-pyridin-1-yl(isoquinolin-1-yl)methanone is O=C(c1nccc2ccccc12)N1CC=CCC1.
What is the InChIKey of 3,6-dihydro-2H-pyridin-1-yl(isoquinolin-1-yl)methanone?
The InChIKey is VMWHROGSWNUEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c18-15(17-10-4-1-5-11-17)14-13-7-3-2-6-12(13)8-9-16-14/h1-4,6-9H,5,10-11H2.
What are the key properties of 3,6-dihydro-2H-pyridin-1-yl(isoquinolin-1-yl)methanone?
3,6-dihydro-2H-pyridin-1-yl(isoquinolin-1-yl)methanone has a molecular weight of 238.29 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-pyridin-1-yl(isoquinolin-1-yl)methanone is sourced from PubChem (CID 141178399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).