8-(2-aminopropyl)-6-bromo-3,4-dihydro-1H-quinolin-2-one

C12H15BrN2O — CID 82190811

IUPAC8-(2-aminopropyl)-6-bromo-3,4-dihydro-1H-quinolin-2-one
SMILESCC(N)Cc1cc(Br)cc2c1NC(=O)CC2
InChIInChI=1S/C12H15BrN2O/c1-7(14)4-9-6-10(13)5-8-2-3-11(16)15-12(8)9/h5-7H,2-4,14H2,1H3,(H,15,16)
InChIKeyLVBQOIKUUBEAHE-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.22
Rot. Bonds2

About 8-(2-aminopropyl)-6-bromo-3,4-dihydro-1H-quinolin-2-one

8-(2-aminopropyl)-6-bromo-3,4-dihydro-1H-quinolin-2-one (PubChem CID 82190811) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 8-(2-aminopropyl)-6-bromo-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name8-(2-aminopropyl)-6-bromo-3,4-dihydro-1H-quinolin-2-one
PubChem CID82190811
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name8-(2-aminopropyl)-6-bromo-3,4-dihydro-1H-quinolin-2-one
SMILESCC(N)Cc1cc(Br)cc2c1NC(=O)CC2
InChIInChI=1S/C12H15BrN2O/c1-7(14)4-9-6-10(13)5-8-2-3-11(16)15-12(8)9/h5-7H,2-4,14H2,1H3,(H,15,16)
InChIKeyLVBQOIKUUBEAHE-UHFFFAOYSA-N
XLogP2.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-aminopropyl)-8-chloro-3,4-dihydro-1H-quinolin-2-one
CID 82190791
7-(2-aminopropyl)-5-methyl-1,3-dihydroindol-2-one
CID 82190534
1-(6-bromo-2,3-dihydro-1H-inden-4-yl)propan-2-amine
CID 117388145
6-bromo-8-(1-hydroxybutyl)-3,4-dihydro-1H-quinolin-2-one
CID 82174296
7-(aminomethyl)-5-bromo-1,3-dihydroindol-2-one
CID 82190668
6-bromo-8-(1-hydroxy-2-methoxyethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82174297
6-(2-aminopropyl)-3,4-dihydro-1H-quinolin-2-one
CID 82190762
8-ethyl-6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 82174002
1-(2,5-dibromophenyl)propan-2-amine
CID 84739331
6-(1-amino-2-phenylethyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 82174314
6-bromo-8-(pyridin-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 126587454
8-(4-aminobutyl)-6-chloro-3,4-dihydro-1H-quinolin-2-one
CID 82190820

Frequently Asked Questions

What is the IUPAC name of 8-(2-aminopropyl)-6-bromo-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 8-(2-aminopropyl)-6-bromo-3,4-dihydro-1H-quinolin-2-one (CID 82190811) is 8-(2-aminopropyl)-6-bromo-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 8-(2-aminopropyl)-6-bromo-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 8-(2-aminopropyl)-6-bromo-3,4-dihydro-1H-quinolin-2-one is CC(N)Cc1cc(Br)cc2c1NC(=O)CC2.
What is the InChIKey of 8-(2-aminopropyl)-6-bromo-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is LVBQOIKUUBEAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-7(14)4-9-6-10(13)5-8-2-3-11(16)15-12(8)9/h5-7H,2-4,14H2,1H3,(H,15,16).
What are the key properties of 8-(2-aminopropyl)-6-bromo-3,4-dihydro-1H-quinolin-2-one?
8-(2-aminopropyl)-6-bromo-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 283.17 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminopropyl)-6-bromo-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 82190811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).