1-[(3-bromo-2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol

C16H14BrF2NO — CID 106274018

IUPAC1-[(3-bromo-2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol
SMILESOC1CCN(Cc2c(F)ccc(Br)c2F)c2ccccc21
InChIInChI=1S/C16H14BrF2NO/c17-12-5-6-13(18)11(16(12)19)9-20-8-7-15(21)10-3-1-2-4-14(10)20/h1-6,15,21H,7-9H2
InChIKeyUJIOPXDDVHDBMT-UHFFFAOYSA-N
MW354.19 g/mol
LogP4.17
Rot. Bonds2

About 1-[(3-bromo-2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol

1-[(3-bromo-2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol (PubChem CID 106274018) has the molecular formula C16H14BrF2NO and a molecular weight of 354.19 g/mol. Its IUPAC name is 1-[(3-bromo-2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol.

Molecular Properties

Compound Name1-[(3-bromo-2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol
PubChem CID106274018
Molecular FormulaC16H14BrF2NO
Molecular Weight354.19 g/mol
Exact Mass353.02
IUPAC Name1-[(3-bromo-2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol
SMILESOC1CCN(Cc2c(F)ccc(Br)c2F)c2ccccc21
InChIInChI=1S/C16H14BrF2NO/c17-12-5-6-13(18)11(16(12)19)9-20-8-7-15(21)10-3-1-2-4-14(10)20/h1-6,15,21H,7-9H2
InChIKeyUJIOPXDDVHDBMT-UHFFFAOYSA-N
XLogP4.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-3,4-dihydro-2H-quinolin-4-ol
CID 114337756
1-[(3-bromo-2,6-difluorophenyl)methyl]piperidin-3-ol
CID 106268702
1-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol
CID 102880144
1-[(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol
CID 114337631
1-[(3,4-difluorophenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 104558354
1-[(2-fluoro-3-methoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol
CID 114337659
2-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)acetonitrile
CID 114337618
1-[(5-ethylthiophen-2-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol
CID 114337680
1-[(3-bromo-2,6-difluorophenyl)methyl]-6-fluoro-2,3-dihydroindole
CID 106269290
[1-[(3-bromo-2,6-difluorophenyl)methyl]piperidin-3-yl]methanol
CID 106268333
1-(2-methylsulfanylethyl)-3,4-dihydro-2H-quinolin-4-ol
CID 114337617
1-[(3-bromo-2,6-difluorophenyl)methyl]-2,3-dihydroindol-5-amine
CID 106264339

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol?
The IUPAC name of 1-[(3-bromo-2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol (CID 106274018) is 1-[(3-bromo-2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol.
What is the SMILES notation for 1-[(3-bromo-2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol?
The canonical SMILES for 1-[(3-bromo-2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol is OC1CCN(Cc2c(F)ccc(Br)c2F)c2ccccc21.
What is the InChIKey of 1-[(3-bromo-2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol?
The InChIKey is UJIOPXDDVHDBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrF2NO/c17-12-5-6-13(18)11(16(12)19)9-20-8-7-15(21)10-3-1-2-4-14(10)20/h1-6,15,21H,7-9H2.
What are the key properties of 1-[(3-bromo-2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol?
1-[(3-bromo-2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol has a molecular weight of 354.19 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol is sourced from PubChem (CID 106274018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).