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

C21H24N2O — CID 110288908

IUPAC(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCc2ccccc2C1C1CCCCC1
InChIInChI=1S/C21H24N2O/c24-21(18-10-6-13-22-15-18)23-14-12-16-7-4-5-11-19(16)20(23)17-8-2-1-3-9-17/h4-7,10-11,13,15,17,20H,1-3,8-9,12,14H2
InChIKeyOKAHONKUJSUQAU-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.40
Rot. Bonds2

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

(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-3-ylmethanone (PubChem CID 110288908) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is (1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-3-ylmethanone
PubChem CID110288908
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCc2ccccc2C1C1CCCCC1
InChIInChI=1S/C21H24N2O/c24-21(18-10-6-13-22-15-18)23-14-12-16-7-4-5-11-19(16)20(23)17-8-2-1-3-9-17/h4-7,10-11,13,15,17,20H,1-3,8-9,12,14H2
InChIKeyOKAHONKUJSUQAU-UHFFFAOYSA-N
XLogP4.40
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

pyridin-3-yl-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110400545
[1-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-pyridin-3-ylmethanone
CID 110288981
1-[(4aR,9aR)-1-(pyridine-3-carbonyl)-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrido[3,2-b]azepin-5-yl]ethanone
CID 110145133
[1-(2-methyl-4-pyridinyl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-pyridin-3-ylmethanone
CID 134076481
[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]methanone
CID 97078426
11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl(pyridin-3-yl)methanone
CID 122270369
1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[(2R)-2-hydroxypropyl]amino]ethanone
CID 25119161
1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[(1R,2R)-2-hydroxycyclooctyl]methylamino]ethanone
CID 59396251
1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[(2S)-2-hydroxycyclohexyl]methylamino]ethanone
CID 70923031
1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 59396190
(4-methoxyphenyl)-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110400524
[2-(1-methylpyrazol-3-yl)azepan-1-yl]-pyridin-3-ylmethanone
CID 110225788

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-3-ylmethanone?
The IUPAC name of (1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-3-ylmethanone (CID 110288908) is (1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-3-ylmethanone.
What is the SMILES notation for (1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-3-ylmethanone?
The canonical SMILES for (1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCc2ccccc2C1C1CCCCC1.
What is the InChIKey of (1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-3-ylmethanone?
The InChIKey is OKAHONKUJSUQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c24-21(18-10-6-13-22-15-18)23-14-12-16-7-4-5-11-19(16)20(23)17-8-2-1-3-9-17/h4-7,10-11,13,15,17,20H,1-3,8-9,12,14H2.
What are the key properties of (1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-3-ylmethanone?
(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-3-ylmethanone has a molecular weight of 320.44 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-3-ylmethanone is sourced from PubChem (CID 110288908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).