(5-bromofuran-2-yl)-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone

C15H14BrNO2 — CID 110750145

IUPAC(5-bromofuran-2-yl)-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCC1CN(C(=O)c2ccc(Br)o2)Cc2ccccc21
InChIInChI=1S/C15H14BrNO2/c1-10-8-17(9-11-4-2-3-5-12(10)11)15(18)13-6-7-14(16)19-13/h2-7,10H,8-9H2,1H3
InChIKeyYOPASELOGNSZAG-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.80
Rot. Bonds1

About (5-bromofuran-2-yl)-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone

(5-bromofuran-2-yl)-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 110750145) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID110750145
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name(5-bromofuran-2-yl)-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCC1CN(C(=O)c2ccc(Br)o2)Cc2ccccc21
InChIInChI=1S/C15H14BrNO2/c1-10-8-17(9-11-4-2-3-5-12(10)11)15(18)13-6-7-14(16)19-13/h2-7,10H,8-9H2,1H3
InChIKeyYOPASELOGNSZAG-UHFFFAOYSA-N
XLogP3.80
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of (5-bromofuran-2-yl)-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 110750145) is (5-bromofuran-2-yl)-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for (5-bromofuran-2-yl)-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone is CC1CN(C(=O)c2ccc(Br)o2)Cc2ccccc21.
What is the InChIKey of (5-bromofuran-2-yl)-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is YOPASELOGNSZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-10-8-17(9-11-4-2-3-5-12(10)11)15(18)13-6-7-14(16)19-13/h2-7,10H,8-9H2,1H3.
What are the key properties of (5-bromofuran-2-yl)-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
(5-bromofuran-2-yl)-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 320.19 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 110750145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).