(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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).