6-(1-bromooctyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one

C17H23BrFNO — CID 63442754

IUPAC6-(1-bromooctyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESCCCCCCCC(Br)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C17H23BrFNO/c1-2-3-4-5-6-7-14(18)13-10-12-8-9-17(21)20-16(12)11-15(13)19/h10-11,14H,2-9H2,1H3,(H,20,21)
InChIKeyKIHBLTYVHLKNJN-UHFFFAOYSA-N
MW356.28 g/mol
LogP5.51
Rot. Bonds7

About 6-(1-bromooctyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one

6-(1-bromooctyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 63442754) has the molecular formula C17H23BrFNO and a molecular weight of 356.28 g/mol. Its IUPAC name is 6-(1-bromooctyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(1-bromooctyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
PubChem CID63442754
Molecular FormulaC17H23BrFNO
Molecular Weight356.28 g/mol
Exact Mass355.09
IUPAC Name6-(1-bromooctyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESCCCCCCCC(Br)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C17H23BrFNO/c1-2-3-4-5-6-7-14(18)13-10-12-8-9-17(21)20-16(12)11-15(13)19/h10-11,14H,2-9H2,1H3,(H,20,21)
InChIKeyKIHBLTYVHLKNJN-UHFFFAOYSA-N
XLogP5.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.28
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(1-bromononyl)-6-chloro-1,3-dihydroindol-2-one
CID 65428912
5-(1-bromoheptyl)-6-chloro-1,3-dihydroindol-2-one
CID 114753608
6-[1-(ethylamino)butyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43493677
6-(1-amino-2-methylpentyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457682
5-(1-bromooctyl)-6-chloro-1,3-dihydroindol-2-one
CID 63443114
6-fluoro-7-(heptan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43723883
6-amino-6-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)hexanamide
CID 60860353
6-[2-ethyl-1-(methylamino)butyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43487537
7-fluoro-6-[4-methyl-1-(methylamino)pentyl]-3,4-dihydro-1H-quinolin-2-one
CID 43487524
1-(1-bromooctyl)-2,4-difluoro-5-methylbenzene
CID 79731208
6-[bromo(cycloheptyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 63442796
6-fluoro-7-(heptan-4-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43723940

Frequently Asked Questions

What is the IUPAC name of 6-(1-bromooctyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(1-bromooctyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one (CID 63442754) is 6-(1-bromooctyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(1-bromooctyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(1-bromooctyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one is CCCCCCCC(Br)c1cc2c(cc1F)NC(=O)CC2.
What is the InChIKey of 6-(1-bromooctyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is KIHBLTYVHLKNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrFNO/c1-2-3-4-5-6-7-14(18)13-10-12-8-9-17(21)20-16(12)11-15(13)19/h10-11,14H,2-9H2,1H3,(H,20,21).
What are the key properties of 6-(1-bromooctyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
6-(1-bromooctyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 356.28 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-bromooctyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 63442754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).