6-(3-chloropropoxy)-8-fluoro-3,4-dihydro-1H-quinolin-2-one

C12H13ClFNO2 — CID 22132611

IUPAC6-(3-chloropropoxy)-8-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(OCCCCl)cc(F)c2N1
InChIInChI=1S/C12H13ClFNO2/c13-4-1-5-17-9-6-8-2-3-11(16)15-12(8)10(14)7-9/h6-7H,1-5H2,(H,15,16)
InChIKeyNQLIHZUXVOIXQZ-UHFFFAOYSA-N
MW257.69 g/mol
LogP2.72
Rot. Bonds4

About 6-(3-chloropropoxy)-8-fluoro-3,4-dihydro-1H-quinolin-2-one

6-(3-chloropropoxy)-8-fluoro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 22132611) has the molecular formula C12H13ClFNO2 and a molecular weight of 257.69 g/mol. Its IUPAC name is 6-(3-chloropropoxy)-8-fluoro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(3-chloropropoxy)-8-fluoro-3,4-dihydro-1H-quinolin-2-one
PubChem CID22132611
Molecular FormulaC12H13ClFNO2
Molecular Weight257.69 g/mol
Exact Mass257.06
IUPAC Name6-(3-chloropropoxy)-8-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(OCCCCl)cc(F)c2N1
InChIInChI=1S/C12H13ClFNO2/c13-4-1-5-17-9-6-8-2-3-11(16)15-12(8)10(14)7-9/h6-7H,1-5H2,(H,15,16)
InChIKeyNQLIHZUXVOIXQZ-UHFFFAOYSA-N
XLogP2.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.69
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

6-Methoxy-1,2,3,4-tetrahydroquinolin-2-one
CID 10888467
6-[(3-chlorophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 47420565
6-(3-phenylpropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 72191362
6-(Benzyloxy)-3,4-dihydroquinolin-2(1H)-one
CID 44565882
6-[3-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one
CID 86342357
6-(2-phenylethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 72191056
6-Hexyloxy-3,4-dihydro-2(1h)-quinolinone
CID 13109818
N-hydroxy-6-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]hexanamide
CID 86580690
N-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 86580849
7-(4-Chlorobutoxy)-1,2,3,4-tetrahydroquinolin-2-one
CID 10467467
3-[(2-Oxo-1,2,3,4-tetrahydroquinolin-6-yl)oxy]propanoic acid
CID 12819275
2-[(2-Oxo-1,2,3,4-tetrahydroquinolin-6-yl)oxy]acetic acid
CID 12819282

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloropropoxy)-8-fluoro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(3-chloropropoxy)-8-fluoro-3,4-dihydro-1H-quinolin-2-one (CID 22132611) is 6-(3-chloropropoxy)-8-fluoro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(3-chloropropoxy)-8-fluoro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(3-chloropropoxy)-8-fluoro-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(OCCCCl)cc(F)c2N1.
What is the InChIKey of 6-(3-chloropropoxy)-8-fluoro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is NQLIHZUXVOIXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO2/c13-4-1-5-17-9-6-8-2-3-11(16)15-12(8)10(14)7-9/h6-7H,1-5H2,(H,15,16).
What are the key properties of 6-(3-chloropropoxy)-8-fluoro-3,4-dihydro-1H-quinolin-2-one?
6-(3-chloropropoxy)-8-fluoro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 257.69 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloropropoxy)-8-fluoro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 22132611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).