[(2S,4R)-4-isoquinolin-6-yloxypyrrolidin-2-yl] N-(furan-2-ylmethyl)carbamate

C19H19N3O4 — CID 67022911

IUPAC[(2S,4R)-4-isoquinolin-6-yloxypyrrolidin-2-yl] N-(furan-2-ylmethyl)carbamate
SMILESO=C(NCc1ccco1)O[C@H]1C[C@@H](Oc2ccc3cnccc3c2)CN1
InChIInChI=1S/C19H19N3O4/c23-19(22-11-16-2-1-7-24-16)26-18-9-17(12-21-18)25-15-4-3-14-10-20-6-5-13(14)8-15/h1-8,10,17-18,21H,9,11-12H2,(H,22,23)/t17-,18+/m1/s1
InChIKeyKZFYLMADWFAXCE-MSOLQXFVSA-N
MW353.38 g/mol
LogP2.82
Rot. Bonds5

About [(2S,4R)-4-isoquinolin-6-yloxypyrrolidin-2-yl] N-(furan-2-ylmethyl)carbamate

[(2S,4R)-4-isoquinolin-6-yloxypyrrolidin-2-yl] N-(furan-2-ylmethyl)carbamate (PubChem CID 67022911) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is [(2S,4R)-4-isoquinolin-6-yloxypyrrolidin-2-yl] N-(furan-2-ylmethyl)carbamate.

Molecular Properties

Compound Name[(2S,4R)-4-isoquinolin-6-yloxypyrrolidin-2-yl] N-(furan-2-ylmethyl)carbamate
PubChem CID67022911
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name[(2S,4R)-4-isoquinolin-6-yloxypyrrolidin-2-yl] N-(furan-2-ylmethyl)carbamate
SMILESO=C(NCc1ccco1)O[C@H]1C[C@@H](Oc2ccc3cnccc3c2)CN1
InChIInChI=1S/C19H19N3O4/c23-19(22-11-16-2-1-7-24-16)26-18-9-17(12-21-18)25-15-4-3-14-10-20-6-5-13(14)8-15/h1-8,10,17-18,21H,9,11-12H2,(H,22,23)/t17-,18+/m1/s1
InChIKeyKZFYLMADWFAXCE-MSOLQXFVSA-N
XLogP2.82
TPSA85.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(1R)-1-phenylethyl] (2S,4R)-4-isoquinolin-6-yloxypyrrolidine-2-carboxylate
CID 142700724
(2S,4S)-4-isoquinolin-6-yloxy-N-prop-2-ynylpiperidine-2-carboxamide
CID 25109881
N-(furan-2-ylmethyl)-5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indole-2-carboxamide
CID 90889256
N-(furan-2-ylmethyl)-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
CID 171141583
N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 1087305
N-(furan-2-ylmethyl)-2-methyl-1,6-naphthyridine-3-carboxamide
CID 110850532
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methoxy-1H-indole-2-carboxamide
CID 99790211
cyclobutyl N-(furan-2-ylmethyl)carbamate;5,7-difluoro-2-(4-fluorophenyl)-1H-indole
CID 156815876
4-(furan-2-ylmethylcarbamoyl)pyridine-3-carboxylic acid
CID 53270691
2-(azetidin-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 64616126
2-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 60503609
N-(furan-2-ylmethyl)-N'-(1H-indol-6-yl)oxamide
CID 39336216

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-isoquinolin-6-yloxypyrrolidin-2-yl] N-(furan-2-ylmethyl)carbamate?
The IUPAC name of [(2S,4R)-4-isoquinolin-6-yloxypyrrolidin-2-yl] N-(furan-2-ylmethyl)carbamate (CID 67022911) is [(2S,4R)-4-isoquinolin-6-yloxypyrrolidin-2-yl] N-(furan-2-ylmethyl)carbamate.
What is the SMILES notation for [(2S,4R)-4-isoquinolin-6-yloxypyrrolidin-2-yl] N-(furan-2-ylmethyl)carbamate?
The canonical SMILES for [(2S,4R)-4-isoquinolin-6-yloxypyrrolidin-2-yl] N-(furan-2-ylmethyl)carbamate is O=C(NCc1ccco1)O[C@H]1C[C@@H](Oc2ccc3cnccc3c2)CN1.
What is the InChIKey of [(2S,4R)-4-isoquinolin-6-yloxypyrrolidin-2-yl] N-(furan-2-ylmethyl)carbamate?
The InChIKey is KZFYLMADWFAXCE-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H19N3O4/c23-19(22-11-16-2-1-7-24-16)26-18-9-17(12-21-18)25-15-4-3-14-10-20-6-5-13(14)8-15/h1-8,10,17-18,21H,9,11-12H2,(H,22,23)/t17-,18+/m1/s1.
What are the key properties of [(2S,4R)-4-isoquinolin-6-yloxypyrrolidin-2-yl] N-(furan-2-ylmethyl)carbamate?
[(2S,4R)-4-isoquinolin-6-yloxypyrrolidin-2-yl] N-(furan-2-ylmethyl)carbamate has a molecular weight of 353.38 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-isoquinolin-6-yloxypyrrolidin-2-yl] N-(furan-2-ylmethyl)carbamate is sourced from PubChem (CID 67022911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).