3-(5-bromo-2-hydroxyphenyl)-3,4-dihydro-1H-quinolin-2-one

C15H12BrNO2 — CID 11359030

IUPAC3-(5-bromo-2-hydroxyphenyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1Nc2ccccc2CC1c1cc(Br)ccc1O
InChIInChI=1S/C15H12BrNO2/c16-10-5-6-14(18)11(8-10)12-7-9-3-1-2-4-13(9)17-15(12)19/h1-6,8,12,18H,7H2,(H,17,19)
InChIKeyNUPSDFHIVJJEBQ-UHFFFAOYSA-N
MW318.17 g/mol
LogP3.43
Rot. Bonds1

About 3-(5-bromo-2-hydroxyphenyl)-3,4-dihydro-1H-quinolin-2-one

3-(5-bromo-2-hydroxyphenyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 11359030) has the molecular formula C15H12BrNO2 and a molecular weight of 318.17 g/mol. Its IUPAC name is 3-(5-bromo-2-hydroxyphenyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(5-bromo-2-hydroxyphenyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID11359030
Molecular FormulaC15H12BrNO2
Molecular Weight318.17 g/mol
Exact Mass317.01
IUPAC Name3-(5-bromo-2-hydroxyphenyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1Nc2ccccc2CC1c1cc(Br)ccc1O
InChIInChI=1S/C15H12BrNO2/c16-10-5-6-14(18)11(8-10)12-7-9-3-1-2-4-13(9)17-15(12)19/h1-6,8,12,18H,7H2,(H,17,19)
InChIKeyNUPSDFHIVJJEBQ-UHFFFAOYSA-N
XLogP3.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-hydroxyphenyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 3-(5-bromo-2-hydroxyphenyl)-3,4-dihydro-1H-quinolin-2-one (CID 11359030) is 3-(5-bromo-2-hydroxyphenyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 3-(5-bromo-2-hydroxyphenyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 3-(5-bromo-2-hydroxyphenyl)-3,4-dihydro-1H-quinolin-2-one is O=C1Nc2ccccc2CC1c1cc(Br)ccc1O.
What is the InChIKey of 3-(5-bromo-2-hydroxyphenyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is NUPSDFHIVJJEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO2/c16-10-5-6-14(18)11(8-10)12-7-9-3-1-2-4-13(9)17-15(12)19/h1-6,8,12,18H,7H2,(H,17,19).
What are the key properties of 3-(5-bromo-2-hydroxyphenyl)-3,4-dihydro-1H-quinolin-2-one?
3-(5-bromo-2-hydroxyphenyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 318.17 g/mol, XLogP of 3.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-hydroxyphenyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 11359030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).