[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-isoquinolin-4-ylmethanone

C15H16N2O2 — CID 97246459

IUPAC[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-isoquinolin-4-ylmethanone
SMILESO=C(c1cncc2ccccc12)N1CCC[C@@H]1CO
InChIInChI=1S/C15H16N2O2/c18-10-12-5-3-7-17(12)15(19)14-9-16-8-11-4-1-2-6-13(11)14/h1-2,4,6,8-9,12,18H,3,5,7,10H2/t12-/m1/s1
InChIKeyHSTZTUCTVZBHJB-GFCCVEGCSA-N
MW256.31 g/mol
LogP1.83
Rot. Bonds2

About [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-isoquinolin-4-ylmethanone

[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-isoquinolin-4-ylmethanone (PubChem CID 97246459) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-isoquinolin-4-ylmethanone.

Molecular Properties

Compound Name[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-isoquinolin-4-ylmethanone
PubChem CID97246459
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-isoquinolin-4-ylmethanone
SMILESO=C(c1cncc2ccccc12)N1CCC[C@@H]1CO
InChIInChI=1S/C15H16N2O2/c18-10-12-5-3-7-17(12)15(19)14-9-16-8-11-4-1-2-6-13(11)14/h1-2,4,6,8-9,12,18H,3,5,7,10H2/t12-/m1/s1
InChIKeyHSTZTUCTVZBHJB-GFCCVEGCSA-N
XLogP1.83
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-naphthalen-1-ylmethanone
CID 14622137
[2-(hydroxymethyl)piperidin-1-yl]-(4-isoquinolin-4-ylphenyl)methanone
CID 119068023
1-(isoquinoline-4-carbonyl)piperidine-2-carboxylic acid
CID 120515002
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-isoquinolin-1-ylmethanone
CID 79028762
(1-hydrazinylisoquinolin-4-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 106773701
(2-chloroquinolin-4-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107877398
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-iodophenyl)methanone
CID 66261712
[2-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indazol-7-yl)methanone
CID 91661580
[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(methylamino)quinolin-4-yl]methanone
CID 62173431
[2-(hydroxymethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443421
[2-(dimethylamino)quinolin-4-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 99698521
(4-chloro-3-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 81225917

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-isoquinolin-4-ylmethanone?
The IUPAC name of [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-isoquinolin-4-ylmethanone (CID 97246459) is [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-isoquinolin-4-ylmethanone.
What is the SMILES notation for [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-isoquinolin-4-ylmethanone?
The canonical SMILES for [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-isoquinolin-4-ylmethanone is O=C(c1cncc2ccccc12)N1CCC[C@@H]1CO.
What is the InChIKey of [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-isoquinolin-4-ylmethanone?
The InChIKey is HSTZTUCTVZBHJB-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-10-12-5-3-7-17(12)15(19)14-9-16-8-11-4-1-2-6-13(11)14/h1-2,4,6,8-9,12,18H,3,5,7,10H2/t12-/m1/s1.
What are the key properties of [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-isoquinolin-4-ylmethanone?
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-isoquinolin-4-ylmethanone has a molecular weight of 256.31 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-isoquinolin-4-ylmethanone is sourced from PubChem (CID 97246459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).