[(3R)-3-aminopyrrolidin-1-yl]-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]methanone

C19H23N3O2 — CID 125441733

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]methanone
SMILESN[C@@H]1CCN(C(=O)c2ccc(CN3CCc4ccccc4C3)o2)C1
InChIInChI=1S/C19H23N3O2/c20-16-8-10-22(12-16)19(23)18-6-5-17(24-18)13-21-9-7-14-3-1-2-4-15(14)11-21/h1-6,16H,7-13,20H2/t16-/m1/s1
InChIKeyABRPJNSBFNAGMJ-MRXNPFEDSA-N
MW325.41 g/mol
LogP2.01
Rot. Bonds3

About [(3R)-3-aminopyrrolidin-1-yl]-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]methanone

[(3R)-3-aminopyrrolidin-1-yl]-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]methanone (PubChem CID 125441733) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]methanone
PubChem CID125441733
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]methanone
SMILESN[C@@H]1CCN(C(=O)c2ccc(CN3CCc4ccccc4C3)o2)C1
InChIInChI=1S/C19H23N3O2/c20-16-8-10-22(12-16)19(23)18-6-5-17(24-18)13-21-9-7-14-3-1-2-4-15(14)11-21/h1-6,16H,7-13,20H2/t16-/m1/s1
InChIKeyABRPJNSBFNAGMJ-MRXNPFEDSA-N
XLogP2.01
TPSA62.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R)-3-aminopyrrolidin-1-yl]-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]methanone with MolForge

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Related Compounds

(3-aminopyrrolidin-1-yl)-(5-ethylfuran-2-yl)methanone
CID 79094746
[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]-(3-propylmorpholin-4-yl)methanone
CID 118762449
[(3R)-3-aminopyrrolidin-1-yl]-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone;hydrochloride
CID 119411658
[(3R)-3-aminopiperidin-1-yl]-(5-ethylfuran-2-yl)methanone
CID 102978338
[(3S)-3-(diethylamino)pyrrolidin-1-yl]-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,2-oxazol-3-yl]methanone
CID 95202918
2-[(3S)-3-aminopyrrolidin-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 81491436
[5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 35335152
[3-(hydroxymethyl)pyrrolidin-1-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone
CID 62372378
(3-aminopyrrolidin-1-yl)-(1-benzofuran-2-yl)methanone;hydrochloride
CID 119482537
[3-(bromomethyl)pyrrolidin-1-yl]-(5-ethylfuran-2-yl)methanone
CID 80667487
ethyl 5-[(3-aminopyrrolidin-1-yl)methyl]furan-2-carboxylate;dihydrochloride
CID 167768464
(3-aminopiperidin-1-yl)-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone
CID 119379806

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]methanone?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]methanone (CID 125441733) is [(3R)-3-aminopyrrolidin-1-yl]-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]methanone.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]methanone?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]methanone is N[C@@H]1CCN(C(=O)c2ccc(CN3CCc4ccccc4C3)o2)C1.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]methanone?
The InChIKey is ABRPJNSBFNAGMJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23N3O2/c20-16-8-10-22(12-16)19(23)18-6-5-17(24-18)13-21-9-7-14-3-1-2-4-15(14)11-21/h1-6,16H,7-13,20H2/t16-/m1/s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]methanone?
[(3R)-3-aminopyrrolidin-1-yl]-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]methanone has a molecular weight of 325.41 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]methanone is sourced from PubChem (CID 125441733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).