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

C20H16ClNO2 — CID 27659634

IUPAC[5-(2-chlorophenyl)furan-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESO=C(c1ccc(-c2ccccc2Cl)o1)N1CCc2ccccc2C1
InChIInChI=1S/C20H16ClNO2/c21-17-8-4-3-7-16(17)18-9-10-19(24-18)20(23)22-12-11-14-5-1-2-6-15(14)13-22/h1-10H,11-13H2
InChIKeyYDLUSETXYJSXDC-UHFFFAOYSA-N
MW337.81 g/mol
LogP4.80
Rot. Bonds2

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

[5-(2-chlorophenyl)furan-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 27659634) has the molecular formula C20H16ClNO2 and a molecular weight of 337.81 g/mol. Its IUPAC name is [5-(2-chlorophenyl)furan-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name[5-(2-chlorophenyl)furan-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID27659634
Molecular FormulaC20H16ClNO2
Molecular Weight337.81 g/mol
Exact Mass337.09
IUPAC Name[5-(2-chlorophenyl)furan-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESO=C(c1ccc(-c2ccccc2Cl)o1)N1CCc2ccccc2C1
InChIInChI=1S/C20H16ClNO2/c21-17-8-4-3-7-16(17)18-9-10-19(24-18)20(23)22-12-11-14-5-1-2-6-15(14)13-22/h1-10H,11-13H2
InChIKeyYDLUSETXYJSXDC-UHFFFAOYSA-N
XLogP4.80
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(2-chlorophenyl)furan-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of [5-(2-chlorophenyl)furan-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 27659634) is [5-(2-chlorophenyl)furan-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for [5-(2-chlorophenyl)furan-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for [5-(2-chlorophenyl)furan-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is O=C(c1ccc(-c2ccccc2Cl)o1)N1CCc2ccccc2C1.
What is the InChIKey of [5-(2-chlorophenyl)furan-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is YDLUSETXYJSXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO2/c21-17-8-4-3-7-16(17)18-9-10-19(24-18)20(23)22-12-11-14-5-1-2-6-15(14)13-22/h1-10H,11-13H2.
What are the key properties of [5-(2-chlorophenyl)furan-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
[5-(2-chlorophenyl)furan-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 337.81 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chlorophenyl)furan-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 27659634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).