(5-bromofuran-2-yl)-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)methanone

C16H16BrNO2 — CID 110750128

IUPAC(5-bromofuran-2-yl)-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)methanone
SMILESCC1(C)CN(C(=O)c2ccc(Br)o2)Cc2ccccc21
InChIInChI=1S/C16H16BrNO2/c1-16(2)10-18(9-11-5-3-4-6-12(11)16)15(19)13-7-8-14(17)20-13/h3-8H,9-10H2,1-2H3
InChIKeyUHTICUKTZVJNMH-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.98
Rot. Bonds1

About (5-bromofuran-2-yl)-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)methanone

(5-bromofuran-2-yl)-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)methanone (PubChem CID 110750128) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)methanone
PubChem CID110750128
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name(5-bromofuran-2-yl)-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)methanone
SMILESCC1(C)CN(C(=O)c2ccc(Br)o2)Cc2ccccc21
InChIInChI=1S/C16H16BrNO2/c1-16(2)10-18(9-11-5-3-4-6-12(11)16)15(19)13-7-8-14(17)20-13/h3-8H,9-10H2,1-2H3
InChIKeyUHTICUKTZVJNMH-UHFFFAOYSA-N
XLogP3.98
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5-bromofuran-2-yl)-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)methanone with MolForge

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Related Compounds

(5-bromofuran-2-yl)-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110750145
iodo 4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxylate
CID 143581392
1-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-3-hydroxypropan-1-one
CID 142480222
2-amino-1-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)propan-1-one
CID 83626790
(5-bromofuran-2-yl)-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114781615
1'-(5-bromofuran-2-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618264
(5-bromofuran-2-yl)-(4,4-dimethylazepan-1-yl)methanone
CID 65283148
N-[3-(4,4-dimethyl-1,3-dihydroisoquinoline-2-carbonyl)phenyl]acetamide
CID 110750127
azepan-1-yl-(5-bromofuran-2-yl)methanone
CID 750410
1-[4-(5-bromofuran-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 60702023
1-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 39492865
(5-bromofuran-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662274

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)methanone?
The IUPAC name of (5-bromofuran-2-yl)-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)methanone (CID 110750128) is (5-bromofuran-2-yl)-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)methanone?
The canonical SMILES for (5-bromofuran-2-yl)-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)methanone is CC1(C)CN(C(=O)c2ccc(Br)o2)Cc2ccccc21.
What is the InChIKey of (5-bromofuran-2-yl)-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)methanone?
The InChIKey is UHTICUKTZVJNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-16(2)10-18(9-11-5-3-4-6-12(11)16)15(19)13-7-8-14(17)20-13/h3-8H,9-10H2,1-2H3.
What are the key properties of (5-bromofuran-2-yl)-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)methanone?
(5-bromofuran-2-yl)-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)methanone has a molecular weight of 334.21 g/mol, XLogP of 3.98, 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)-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)methanone is sourced from PubChem (CID 110750128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).