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

C9H8BrNO — CID 86317576

IUPAC(3R)-3-bromo-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1Nc2ccccc2C[C@H]1Br
InChIInChI=1S/C9H8BrNO/c10-7-5-6-3-1-2-4-8(6)11-9(7)12/h1-4,7H,5H2,(H,11,12)/t7-/m1/s1
InChIKeyRZBZJWOYASHRDC-SSDOTTSWSA-N
MW226.07 g/mol
LogP1.94
Rot. Bonds

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

(3R)-3-bromo-3,4-dihydro-1H-quinolin-2-one (PubChem CID 86317576) has the molecular formula C9H8BrNO and a molecular weight of 226.07 g/mol. Its IUPAC name is (3R)-3-bromo-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(3R)-3-bromo-3,4-dihydro-1H-quinolin-2-one
PubChem CID86317576
Molecular FormulaC9H8BrNO
Molecular Weight226.07 g/mol
Exact Mass224.98
IUPAC Name(3R)-3-bromo-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1Nc2ccccc2C[C@H]1Br
InChIInChI=1S/C9H8BrNO/c10-7-5-6-3-1-2-4-8(6)11-9(7)12/h1-4,7H,5H2,(H,11,12)/t7-/m1/s1
InChIKeyRZBZJWOYASHRDC-SSDOTTSWSA-N
XLogP1.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.07
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-amino-3,4-dihydro-1H-quinolin-2-one;hydroiodide
CID 17234022
3,4-dimethyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 12622089
(3S)-3-ethyl-3,4-dihydro-1H-quinolin-2-one
CID 70087119
3-(3-bromopropanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 150552206
3-benzoyl-3,4-dihydro-1H-quinolin-2-one
CID 154640290
3-butyl-3,4-dihydro-1H-quinolin-2-one
CID 12715425
3-(2-oxopropyl)-3,4-dihydro-1H-quinolin-2-one
CID 145472008
4-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 12622087
(3S)-3-(5-bromo-2-hydroxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 129363709
3-(5-bromo-2-hydroxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 11359030
(3R,4S)-3-hydroxy-4-(4-methoxyphenyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 14156215
(3S,4R)-3-hydroxy-4-(4-methoxyphenyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 70046943

Frequently Asked Questions

What is the IUPAC name of (3R)-3-bromo-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of (3R)-3-bromo-3,4-dihydro-1H-quinolin-2-one (CID 86317576) is (3R)-3-bromo-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for (3R)-3-bromo-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for (3R)-3-bromo-3,4-dihydro-1H-quinolin-2-one is O=C1Nc2ccccc2C[C@H]1Br.
What is the InChIKey of (3R)-3-bromo-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is RZBZJWOYASHRDC-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H8BrNO/c10-7-5-6-3-1-2-4-8(6)11-9(7)12/h1-4,7H,5H2,(H,11,12)/t7-/m1/s1.
What are the key properties of (3R)-3-bromo-3,4-dihydro-1H-quinolin-2-one?
(3R)-3-bromo-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 226.07 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-bromo-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 86317576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).