(4-bromo-3-methylphenyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone

C17H16BrNO2 — CID 115771056

IUPAC(4-bromo-3-methylphenyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCc1cc(C(=O)N2CCc3ccc(O)cc3C2)ccc1Br
InChIInChI=1S/C17H16BrNO2/c1-11-8-13(3-5-16(11)18)17(21)19-7-6-12-2-4-15(20)9-14(12)10-19/h2-5,8-9,20H,6-7,10H2,1H3
InChIKeyUZGUOARAVCZVEV-UHFFFAOYSA-N
MW346.22 g/mol
LogP3.66
Rot. Bonds1

About (4-bromo-3-methylphenyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone

(4-bromo-3-methylphenyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 115771056) has the molecular formula C17H16BrNO2 and a molecular weight of 346.22 g/mol. Its IUPAC name is (4-bromo-3-methylphenyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name(4-bromo-3-methylphenyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID115771056
Molecular FormulaC17H16BrNO2
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name(4-bromo-3-methylphenyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCc1cc(C(=O)N2CCc3ccc(O)cc3C2)ccc1Br
InChIInChI=1S/C17H16BrNO2/c1-11-8-13(3-5-16(11)18)17(21)19-7-6-12-2-4-15(20)9-14(12)10-19/h2-5,8-9,20H,6-7,10H2,1H3
InChIKeyUZGUOARAVCZVEV-UHFFFAOYSA-N
XLogP3.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-bromo-3-methylphenyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone with MolForge

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Related Compounds

aziridin-1-yl-(4-bromo-3-methylphenyl)methanone
CID 131112534
(3-chloro-5-methylphenyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 81041263
(5-chloro-2-methylphenyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 115532907
(3-aminophenyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 60962963
(2-amino-2,3-dihydro-1H-inden-5-yl)-(7-bromo-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 166343234
(4-bromo-3-methylphenyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106314340
(4-bromo-3-methylphenyl)-morpholin-4-ylmethanone
CID 18960596
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 82809173
(2,5-dihydroxyphenyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 107724119
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-3-ylmethanone
CID 47180831
(5-bromo-2-pyridinyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 62959552
furan-2-yl-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 47284651

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-methylphenyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of (4-bromo-3-methylphenyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 115771056) is (4-bromo-3-methylphenyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for (4-bromo-3-methylphenyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for (4-bromo-3-methylphenyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone is Cc1cc(C(=O)N2CCc3ccc(O)cc3C2)ccc1Br.
What is the InChIKey of (4-bromo-3-methylphenyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is UZGUOARAVCZVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO2/c1-11-8-13(3-5-16(11)18)17(21)19-7-6-12-2-4-15(20)9-14(12)10-19/h2-5,8-9,20H,6-7,10H2,1H3.
What are the key properties of (4-bromo-3-methylphenyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
(4-bromo-3-methylphenyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 346.22 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-methylphenyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 115771056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).