[(1R)-1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-quinolin-5-ylmethanone

C20H18N2O2 — CID 99778060

IUPAC[(1R)-1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-quinolin-5-ylmethanone
SMILESO=C(c1cccc2ncccc12)N1CCc2ccccc2[C@@H]1CO
InChIInChI=1S/C20H18N2O2/c23-13-19-15-6-2-1-5-14(15)10-12-22(19)20(24)17-7-3-9-18-16(17)8-4-11-21-18/h1-9,11,19,23H,10,12-13H2/t19-/m0/s1
InChIKeyCAQZTXTWYVDROI-IBGZPJMESA-N
MW318.38 g/mol
LogP2.97
Rot. Bonds2

About [(1R)-1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-quinolin-5-ylmethanone

[(1R)-1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-quinolin-5-ylmethanone (PubChem CID 99778060) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is [(1R)-1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-quinolin-5-ylmethanone.

Molecular Properties

Compound Name[(1R)-1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-quinolin-5-ylmethanone
PubChem CID99778060
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name[(1R)-1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-quinolin-5-ylmethanone
SMILESO=C(c1cccc2ncccc12)N1CCc2ccccc2[C@@H]1CO
InChIInChI=1S/C20H18N2O2/c23-13-19-15-6-2-1-5-14(15)10-12-22(19)20(24)17-7-3-9-18-16(17)8-4-11-21-18/h1-9,11,19,23H,10,12-13H2/t19-/m0/s1
InChIKeyCAQZTXTWYVDROI-IBGZPJMESA-N
XLogP2.97
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(1,2,5-thiadiazol-3-yl)methanone
CID 91649017
[(3R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-quinolin-5-ylmethanone
CID 95718259
(4-bromopiperidin-1-yl)-quinolin-5-ylmethanone
CID 80661755
3,4-dihydro-2H-pyran-6-yl-[1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 86798429
[1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(2-methyl-5-propan-2-ylfuran-3-yl)methanone
CID 126809233
[(1S)-1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 99822714
1-(hydroxymethyl)-N-(2-methyl-1-pyridin-2-ylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 75427125
N,N-dimethyl-1-(quinoline-5-carbonyl)pyrrolidine-2-carboxamide
CID 42940173
(1S)-N-(2-cyclopropylpyrimidin-5-yl)-1-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 97237067
tert-butyl (1R)-1-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 86327718
[(1R)-2,2-dimethylcyclopropyl]-[(1R)-1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 99778042
2-(1-benzofuran-3-yl)-1-[1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 126799114

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-quinolin-5-ylmethanone?
The IUPAC name of [(1R)-1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-quinolin-5-ylmethanone (CID 99778060) is [(1R)-1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-quinolin-5-ylmethanone.
What is the SMILES notation for [(1R)-1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-quinolin-5-ylmethanone?
The canonical SMILES for [(1R)-1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-quinolin-5-ylmethanone is O=C(c1cccc2ncccc12)N1CCc2ccccc2[C@@H]1CO.
What is the InChIKey of [(1R)-1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-quinolin-5-ylmethanone?
The InChIKey is CAQZTXTWYVDROI-IBGZPJMESA-N. The full InChI is InChI=1S/C20H18N2O2/c23-13-19-15-6-2-1-5-14(15)10-12-22(19)20(24)17-7-3-9-18-16(17)8-4-11-21-18/h1-9,11,19,23H,10,12-13H2/t19-/m0/s1.
What are the key properties of [(1R)-1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-quinolin-5-ylmethanone?
[(1R)-1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-quinolin-5-ylmethanone has a molecular weight of 318.38 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-quinolin-5-ylmethanone is sourced from PubChem (CID 99778060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).