6-(1-bromo-2-oxopropyl)-3,4-dihydro-1H-quinolin-2-one

C12H12BrNO2 — CID 116859777

IUPAC6-(1-bromo-2-oxopropyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(=O)C(Br)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C12H12BrNO2/c1-7(15)12(13)9-2-4-10-8(6-9)3-5-11(16)14-10/h2,4,6,12H,3,5H2,1H3,(H,14,16)
InChIKeyNADIAGUTVVJWPM-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.60
Rot. Bonds2

About 6-(1-bromo-2-oxopropyl)-3,4-dihydro-1H-quinolin-2-one

6-(1-bromo-2-oxopropyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 116859777) has the molecular formula C12H12BrNO2 and a molecular weight of 282.14 g/mol. Its IUPAC name is 6-(1-bromo-2-oxopropyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(1-bromo-2-oxopropyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID116859777
Molecular FormulaC12H12BrNO2
Molecular Weight282.14 g/mol
Exact Mass281.01
IUPAC Name6-(1-bromo-2-oxopropyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(=O)C(Br)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C12H12BrNO2/c1-7(15)12(13)9-2-4-10-8(6-9)3-5-11(16)14-10/h2,4,6,12H,3,5H2,1H3,(H,14,16)
InChIKeyNADIAGUTVVJWPM-UHFFFAOYSA-N
XLogP2.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[1-(dimethylamino)-2-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 116859940
6-[bromo-(3,5-dibromophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 107980890
6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854697
6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116939160
6-(1-bromo-3,3-dimethylbutyl)-3,4-dihydro-1H-quinolin-2-one
CID 61095920
6-[bromo-(4-methoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61098117
6-[bromo-(4-methylsulfanylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 79211839
6-[bromo-(4-ethylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61096921
6-(1-hydroxybutan-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 116964107
6-(1-bromo-3-methylpentyl)-3,4-dihydro-1H-quinolin-2-one
CID 114876110
methyl 2,3-dihydroxy-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate
CID 171864842
N-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanehydrazide
CID 116845764

Frequently Asked Questions

What is the IUPAC name of 6-(1-bromo-2-oxopropyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(1-bromo-2-oxopropyl)-3,4-dihydro-1H-quinolin-2-one (CID 116859777) is 6-(1-bromo-2-oxopropyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(1-bromo-2-oxopropyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(1-bromo-2-oxopropyl)-3,4-dihydro-1H-quinolin-2-one is CC(=O)C(Br)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-(1-bromo-2-oxopropyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is NADIAGUTVVJWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2/c1-7(15)12(13)9-2-4-10-8(6-9)3-5-11(16)14-10/h2,4,6,12H,3,5H2,1H3,(H,14,16).
What are the key properties of 6-(1-bromo-2-oxopropyl)-3,4-dihydro-1H-quinolin-2-one?
6-(1-bromo-2-oxopropyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 282.14 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-bromo-2-oxopropyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 116859777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).