5,7-dibromo-3-[(4-fluorophenyl)methyl]quinolin-8-ol

C16H10Br2FNO — CID 58763099

IUPAC5,7-dibromo-3-[(4-fluorophenyl)methyl]quinolin-8-ol
SMILESOc1c(Br)cc(Br)c2cc(Cc3ccc(F)cc3)cnc12
InChIInChI=1S/C16H10Br2FNO/c17-13-7-14(18)16(21)15-12(13)6-10(8-20-15)5-9-1-3-11(19)4-2-9/h1-4,6-8,21H,5H2
InChIKeyPLIRYLSOVKAAEK-UHFFFAOYSA-N
MW411.07 g/mol
LogP5.20
Rot. Bonds2

About 5,7-dibromo-3-[(4-fluorophenyl)methyl]quinolin-8-ol

5,7-dibromo-3-[(4-fluorophenyl)methyl]quinolin-8-ol (PubChem CID 58763099) has the molecular formula C16H10Br2FNO and a molecular weight of 411.07 g/mol. Its IUPAC name is 5,7-dibromo-3-[(4-fluorophenyl)methyl]quinolin-8-ol.

Molecular Properties

Compound Name5,7-dibromo-3-[(4-fluorophenyl)methyl]quinolin-8-ol
PubChem CID58763099
Molecular FormulaC16H10Br2FNO
Molecular Weight411.07 g/mol
Exact Mass408.91
IUPAC Name5,7-dibromo-3-[(4-fluorophenyl)methyl]quinolin-8-ol
SMILESOc1c(Br)cc(Br)c2cc(Cc3ccc(F)cc3)cnc12
InChIInChI=1S/C16H10Br2FNO/c17-13-7-14(18)16(21)15-12(13)6-10(8-20-15)5-9-1-3-11(19)4-2-9/h1-4,6-8,21H,5H2
InChIKeyPLIRYLSOVKAAEK-UHFFFAOYSA-N
XLogP5.20
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.07
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 5-bromo-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate
CID 58762890
3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxamide
CID 59696515
5-bromo-3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-7-carboxylic acid
CID 58763105
CID 89232499
CID 89232499
5-bromo-3-[(4-fluorophenyl)methyl]-8-methoxy-N-methylquinoline-7-carboxamide
CID 71056445
[5-bromo-3-[(4-fluorophenyl)methyl]-8-methoxyquinolin-7-yl] acetate
CID 58762964
5-bromo-3-[(4-fluorophenyl)methyl]-8-phenylmethoxyquinoline-7-carboxylic acid
CID 59696323
5-acetyl-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carbaldehyde
CID 89187490
methyl 5-bromo-3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[(E)-3-methoxy-3-oxoprop-1-enyl]quinoline-7-carboxylate;methyl 3-[(4-fluorophenyl)methyl]-8-methoxy-5-[(E)-3-methoxy-3-oxoprop-1-enyl]quinoline-7-carboxylate
CID 159064342
methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(2-methoxy-2-oxoacetyl)quinoline-7-carboxylate
CID 68820578
7-bromo-8-ethoxy-3-[(4-fluorophenyl)methyl]quinoline
CID 58762936
5-(dimethylamino)-3-[(4-fluorophenyl)methyl]-9-hydroxy-6,7-dihydropyrrolo[3,4-g]quinolin-8-one
CID 143584250

Frequently Asked Questions

What is the IUPAC name of 5,7-dibromo-3-[(4-fluorophenyl)methyl]quinolin-8-ol?
The IUPAC name of 5,7-dibromo-3-[(4-fluorophenyl)methyl]quinolin-8-ol (CID 58763099) is 5,7-dibromo-3-[(4-fluorophenyl)methyl]quinolin-8-ol.
What is the SMILES notation for 5,7-dibromo-3-[(4-fluorophenyl)methyl]quinolin-8-ol?
The canonical SMILES for 5,7-dibromo-3-[(4-fluorophenyl)methyl]quinolin-8-ol is Oc1c(Br)cc(Br)c2cc(Cc3ccc(F)cc3)cnc12.
What is the InChIKey of 5,7-dibromo-3-[(4-fluorophenyl)methyl]quinolin-8-ol?
The InChIKey is PLIRYLSOVKAAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Br2FNO/c17-13-7-14(18)16(21)15-12(13)6-10(8-20-15)5-9-1-3-11(19)4-2-9/h1-4,6-8,21H,5H2.
What are the key properties of 5,7-dibromo-3-[(4-fluorophenyl)methyl]quinolin-8-ol?
5,7-dibromo-3-[(4-fluorophenyl)methyl]quinolin-8-ol has a molecular weight of 411.07 g/mol, XLogP of 5.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dibromo-3-[(4-fluorophenyl)methyl]quinolin-8-ol is sourced from PubChem (CID 58763099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).