7-bromo-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline;(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol;(2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)methanol;[(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl]methanol

C82H79BrN4O3 — CID 159778265

About 7-bromo-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline;(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol;(2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)methanol;[(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl]methanol

7-bromo-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline;(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol;(2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)methanol;[(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl]methanol (PubChem CID 159778265) has the molecular formula C82H79BrN4O3 and a molecular weight of 1248.46 g/mol. Its IUPAC name is 7-bromo-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline;(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol;(2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)methanol;[(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl]methanol.

Molecular Properties

• Compound Name: 7-bromo-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline;(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol;(2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)methanol;[(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl]methanol
• PubChem CID: 159778265
• Molecular Formula: C82H79BrN4O3
• Molecular Weight: 1248.46 g/mol
• Exact Mass: 1246.53
• IUPAC Name: 7-bromo-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline;(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol;(2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)methanol;[(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl]methanol
• SMILES: CN1Cc2cc(Br)ccc2C(c2ccc3ccccc3c2)C1.CN1Cc2cc(CO)ccc2C(c2ccc3ccccc3c2)C1.CN1Cc2cc(CO)ccc2[C@H](c2ccc3ccccc3c2)C1.CN1Cc2cc(O)ccc2[C@H](c2ccc3ccccc3c2)C1
• InChI: InChI=1S/2C21H21NO.C20H18BrN.C20H19NO/c2*1-22-12-19-10-15(14-23)6-9-20(19)21(13-22)18-8-7-16-4-2-3-5-17(16)11-18;1-22-12-17-11-18(21)8-9-19(17)20(13-22)16-7-6-14-4-2-3-5-15(14)10-16;1-21-12-17-11-18(22)8-9-19(17)20(13-21)16-7-6-14-4-2-3-5-15(14)10-16/h2*2-11,21,23H,12-14H2,1H3;2-11,20H,12-13H2,1H3;2-11,20,22H,12-13H2,1H3/t21-;;;20-/m0..0/s1
• InChIKey: NHAHRDAZIHJBSC-DBUJDBRFSA-N
• XLogP: 17.12
• TPSA: 73.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1248.46
LogP ≤ 5	17.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline;(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol;(2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)methanol;[(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl]methanol?

The IUPAC name of 7-bromo-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline;(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol;(2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)methanol;[(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl]methanol (CID 159778265) is 7-bromo-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline;(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol;(2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)methanol;[(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl]methanol.

What is the SMILES notation for 7-bromo-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline;(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol;(2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)methanol;[(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl]methanol?

The canonical SMILES for 7-bromo-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline;(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol;(2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)methanol;[(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl]methanol is CN1Cc2cc(Br)ccc2C(c2ccc3ccccc3c2)C1.CN1Cc2cc(CO)ccc2C(c2ccc3ccccc3c2)C1.CN1Cc2cc(CO)ccc2[C@H](c2ccc3ccccc3c2)C1.CN1Cc2cc(O)ccc2[C@H](c2ccc3ccccc3c2)C1.

What is the InChIKey of 7-bromo-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline;(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol;(2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)methanol;[(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl]methanol?

The InChIKey is NHAHRDAZIHJBSC-DBUJDBRFSA-N. The full InChI is InChI=1S/2C21H21NO.C20H18BrN.C20H19NO/c2*1-22-12-19-10-15(14-23)6-9-20(19)21(13-22)18-8-7-16-4-2-3-5-17(16)11-18;1-22-12-17-11-18(21)8-9-19(17)20(13-22)16-7-6-14-4-2-3-5-15(14)10-16;1-21-12-17-11-18(22)8-9-19(17)20(13-21)16-7-6-14-4-2-3-5-15(14)10-16/h2*2-11,21,23H,12-14H2,1H3;2-11,20H,12-13H2,1H3;2-11,20,22H,12-13H2,1H3/t21-;;;20-/m0..0/s1.

What are the key properties of 7-bromo-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline;(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol;(2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)methanol;[(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl]methanol?

7-bromo-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline;(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol;(2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)methanol;[(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl]methanol has a molecular weight of 1248.46 g/mol, XLogP of 17.12, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline;(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol;(2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)methanol;[(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl]methanol is sourced from PubChem (CID 159778265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).