6-amino-8-bromo-1-propyl-3,4-dihydroquinolin-2-one

C12H15BrN2O — CID 145265617

IUPAC6-amino-8-bromo-1-propyl-3,4-dihydroquinolin-2-one
SMILESCCCN1C(=O)CCc2cc(N)cc(Br)c21
InChIInChI=1S/C12H15BrN2O/c1-2-5-15-11(16)4-3-8-6-9(14)7-10(13)12(8)15/h6-7H,2-5,14H2,1H3
InChIKeyCJTFDHUKRDTLAZ-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.72
Rot. Bonds2

About 6-amino-8-bromo-1-propyl-3,4-dihydroquinolin-2-one

6-amino-8-bromo-1-propyl-3,4-dihydroquinolin-2-one (PubChem CID 145265617) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 6-amino-8-bromo-1-propyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-amino-8-bromo-1-propyl-3,4-dihydroquinolin-2-one
PubChem CID145265617
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name6-amino-8-bromo-1-propyl-3,4-dihydroquinolin-2-one
SMILESCCCN1C(=O)CCc2cc(N)cc(Br)c21
InChIInChI=1S/C12H15BrN2O/c1-2-5-15-11(16)4-3-8-6-9(14)7-10(13)12(8)15/h6-7H,2-5,14H2,1H3
InChIKeyCJTFDHUKRDTLAZ-UHFFFAOYSA-N
XLogP2.72
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-amino-1-benzyl-8-fluoro-3,4-dihydroquinolin-2-one
CID 170748582
3-(4-amino-2-bromophenyl)sulfanyl-1-propylpyrrolidine-2,5-dione
CID 82840847
6-(1-aminocyclopropyl)-1-propyl-3,4-dihydroquinolin-2-one
CID 122456064
6-amino-1-(2-ethylbutyl)-3,4-dihydroquinolin-2-one
CID 82926292
7-amino-1-(2-hydroxyethyl)-6-methyl-3,4-dihydroquinolin-2-one
CID 68605458
6-amino-1-(2-sulfanylethyl)-3,4-dihydroquinolin-2-one
CID 115223654
2-bromo-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 16927295
1-bromo-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methanesulfonamide
CID 16927317
3-bromo-5-ethyl-4-piperidin-1-ylaniline
CID 91681100
6-amino-1-[3-(dimethylamino)propyl]-3,4-dihydroquinolin-2-one
CID 53392260
1-benzyl-6-bromo-8-methyl-3,4-dihydroquinolin-2-one
CID 126572991
2,2-dimethyl-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)propanamide
CID 16926756

Frequently Asked Questions

What is the IUPAC name of 6-amino-8-bromo-1-propyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-amino-8-bromo-1-propyl-3,4-dihydroquinolin-2-one (CID 145265617) is 6-amino-8-bromo-1-propyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-amino-8-bromo-1-propyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-amino-8-bromo-1-propyl-3,4-dihydroquinolin-2-one is CCCN1C(=O)CCc2cc(N)cc(Br)c21.
What is the InChIKey of 6-amino-8-bromo-1-propyl-3,4-dihydroquinolin-2-one?
The InChIKey is CJTFDHUKRDTLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-2-5-15-11(16)4-3-8-6-9(14)7-10(13)12(8)15/h6-7H,2-5,14H2,1H3.
What are the key properties of 6-amino-8-bromo-1-propyl-3,4-dihydroquinolin-2-one?
6-amino-8-bromo-1-propyl-3,4-dihydroquinolin-2-one has a molecular weight of 283.17 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-8-bromo-1-propyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 145265617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).