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

C19H20N2O — CID 110400666

IUPACcyclobutyl-(1-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESO=C(C1CCC1)N1CCc2ccccc2C1c1ccncc1
InChIInChI=1S/C19H20N2O/c22-19(16-5-3-6-16)21-13-10-14-4-1-2-7-17(14)18(21)15-8-11-20-12-9-15/h1-2,4,7-9,11-12,16,18H,3,5-6,10,13H2
InChIKeyKORQMAUZQMFGHT-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.36
Rot. Bonds2

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

cyclobutyl-(1-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 110400666) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is cyclobutyl-(1-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Namecyclobutyl-(1-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID110400666
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Namecyclobutyl-(1-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESO=C(C1CCC1)N1CCc2ccccc2C1c1ccncc1
InChIInChI=1S/C19H20N2O/c22-19(16-5-3-6-16)21-13-10-14-4-1-2-7-17(14)18(21)15-8-11-20-12-9-15/h1-2,4,7-9,11-12,16,18H,3,5-6,10,13H2
InChIKeyKORQMAUZQMFGHT-UHFFFAOYSA-N
XLogP3.36
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(1-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 110400609
2-(cyclobutanecarbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 173232405
2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(1S)-1-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 162108851
4-phenoxy-1-(1-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one
CID 110400639
2-[3-[(1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclobutyl]acetic acid
CID 166299763
cyclobutyl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42939217
methyl (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 67079072
N,N-dimethyl-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 121225936
pyridin-3-yl-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110400545
(1S)-N,1-diphenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 135391620
[1-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-pyridin-3-ylmethanone
CID 110288981
[(1S)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[(2S)-oxolan-2-yl]methanone
CID 163401937

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(1-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of cyclobutyl-(1-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 110400666) is cyclobutyl-(1-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for cyclobutyl-(1-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for cyclobutyl-(1-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone is O=C(C1CCC1)N1CCc2ccccc2C1c1ccncc1.
What is the InChIKey of cyclobutyl-(1-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is KORQMAUZQMFGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c22-19(16-5-3-6-16)21-13-10-14-4-1-2-7-17(14)18(21)15-8-11-20-12-9-15/h1-2,4,7-9,11-12,16,18H,3,5-6,10,13H2.
What are the key properties of cyclobutyl-(1-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
cyclobutyl-(1-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 292.38 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(1-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 110400666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).