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

C15H12BrNO2 — CID 129363709

IUPAC(3S)-3-(5-bromo-2-hydroxyphenyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1Nc2ccccc2C[C@H]1c1cc(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)/t12-/m0/s1
InChIKeyNUPSDFHIVJJEBQ-LBPRGKRZSA-N
MW318.17 g/mol
LogP3.43
Rot. Bonds1

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

(3S)-3-(5-bromo-2-hydroxyphenyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 129363709) has the molecular formula C15H12BrNO2 and a molecular weight of 318.17 g/mol. Its IUPAC name is (3S)-3-(5-bromo-2-hydroxyphenyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(3S)-3-(5-bromo-2-hydroxyphenyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID129363709
Molecular FormulaC15H12BrNO2
Molecular Weight318.17 g/mol
Exact Mass317.01
IUPAC Name(3S)-3-(5-bromo-2-hydroxyphenyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1Nc2ccccc2C[C@H]1c1cc(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)/t12-/m0/s1
InChIKeyNUPSDFHIVJJEBQ-LBPRGKRZSA-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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Related Compounds

3-(5-bromo-2-hydroxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 11359030
(3R)-3-bromo-3,4-dihydro-1H-quinolin-2-one
CID 86317576
(3S)-3-(4-bromophenyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 129404868
3-amino-3,4-dihydro-1H-quinolin-2-one;hydroiodide
CID 17234022
(4-bromo-2-chlorophenyl) 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoate
CID 26262429
(3S)-5-bromo-3-hydroxy-1,3-dihydroindol-2-one
CID 714172
3,4-dimethyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 12622089
3-(3-bromopropanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 150552206
(3S)-3-(4-hydroxyphenyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 129404884
3-benzoyl-3,4-dihydro-1H-quinolin-2-one
CID 154640290
[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)phenyl] trifluoromethanesulfonate
CID 11337701
2-(5-bromo-2-hydroxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 170651023

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(5-bromo-2-hydroxyphenyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of (3S)-3-(5-bromo-2-hydroxyphenyl)-3,4-dihydro-1H-quinolin-2-one (CID 129363709) is (3S)-3-(5-bromo-2-hydroxyphenyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for (3S)-3-(5-bromo-2-hydroxyphenyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for (3S)-3-(5-bromo-2-hydroxyphenyl)-3,4-dihydro-1H-quinolin-2-one is O=C1Nc2ccccc2C[C@H]1c1cc(Br)ccc1O.
What is the InChIKey of (3S)-3-(5-bromo-2-hydroxyphenyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is NUPSDFHIVJJEBQ-LBPRGKRZSA-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)/t12-/m0/s1.
What are the key properties of (3S)-3-(5-bromo-2-hydroxyphenyl)-3,4-dihydro-1H-quinolin-2-one?
(3S)-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 (3S)-3-(5-bromo-2-hydroxyphenyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 129363709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).