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

C20H17N3O — CID 110400545

IUPACpyridin-3-yl-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESO=C(c1cccnc1)N1CCc2ccccc2C1c1cccnc1
InChIInChI=1S/C20H17N3O/c24-20(17-7-4-11-22-14-17)23-12-9-15-5-1-2-8-18(15)19(23)16-6-3-10-21-13-16/h1-8,10-11,13-14,19H,9,12H2
InChIKeyXEHZXYVUKBZJQD-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.26
Rot. Bonds2

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

pyridin-3-yl-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 110400545) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is pyridin-3-yl-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Namepyridin-3-yl-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID110400545
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Namepyridin-3-yl-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESO=C(c1cccnc1)N1CCc2ccccc2C1c1cccnc1
InChIInChI=1S/C20H17N3O/c24-20(17-7-4-11-22-14-17)23-12-9-15-5-1-2-8-18(15)19(23)16-6-3-10-21-13-16/h1-8,10-11,13-14,19H,9,12H2
InChIKeyXEHZXYVUKBZJQD-UHFFFAOYSA-N
XLogP3.26
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyphenyl)-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110400524
[1-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-pyridin-3-ylmethanone
CID 110288981
(2-fluorophenyl)-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110400518
(2-methoxyphenyl)-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110400522
[1-(2-methyl-4-pyridinyl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-pyridin-3-ylmethanone
CID 134076481
(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-3-ylmethanone
CID 110288908
N-propyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 110400562
(3-chlorophenyl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110289095
(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 110307925
(4-methoxyphenyl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110289077
(2-chlorophenyl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110289094
1-propyl-7-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 89475574

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of pyridin-3-yl-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 110400545) is pyridin-3-yl-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for pyridin-3-yl-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for pyridin-3-yl-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone is O=C(c1cccnc1)N1CCc2ccccc2C1c1cccnc1.
What is the InChIKey of pyridin-3-yl-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is XEHZXYVUKBZJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c24-20(17-7-4-11-22-14-17)23-12-9-15-5-1-2-8-18(15)19(23)16-6-3-10-21-13-16/h1-8,10-11,13-14,19H,9,12H2.
What are the key properties of pyridin-3-yl-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
pyridin-3-yl-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 315.38 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 110400545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).