1-[2-(bromomethyl)pentyl]-6-fluoro-3,4-dihydroquinolin-2-one

C15H19BrFNO — CID 65010692

IUPAC1-[2-(bromomethyl)pentyl]-6-fluoro-3,4-dihydroquinolin-2-one
SMILESCCCC(CBr)CN1C(=O)CCc2cc(F)ccc21
InChIInChI=1S/C15H19BrFNO/c1-2-3-11(9-16)10-18-14-6-5-13(17)8-12(14)4-7-15(18)19/h5-6,8,11H,2-4,7,9-10H2,1H3
InChIKeyBIGZHJFNNKHXPS-UHFFFAOYSA-N
MW328.23 g/mol
LogP3.92
Rot. Bonds5

About 1-[2-(bromomethyl)pentyl]-6-fluoro-3,4-dihydroquinolin-2-one

1-[2-(bromomethyl)pentyl]-6-fluoro-3,4-dihydroquinolin-2-one (PubChem CID 65010692) has the molecular formula C15H19BrFNO and a molecular weight of 328.23 g/mol. Its IUPAC name is 1-[2-(bromomethyl)pentyl]-6-fluoro-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[2-(bromomethyl)pentyl]-6-fluoro-3,4-dihydroquinolin-2-one
PubChem CID65010692
Molecular FormulaC15H19BrFNO
Molecular Weight328.23 g/mol
Exact Mass327.06
IUPAC Name1-[2-(bromomethyl)pentyl]-6-fluoro-3,4-dihydroquinolin-2-one
SMILESCCCC(CBr)CN1C(=O)CCc2cc(F)ccc21
InChIInChI=1S/C15H19BrFNO/c1-2-3-11(9-16)10-18-14-6-5-13(17)8-12(14)4-7-15(18)19/h5-6,8,11H,2-4,7,9-10H2,1H3
InChIKeyBIGZHJFNNKHXPS-UHFFFAOYSA-N
XLogP3.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.23
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)pentyl]-6-fluoro-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[2-(bromomethyl)pentyl]-6-fluoro-3,4-dihydroquinolin-2-one (CID 65010692) is 1-[2-(bromomethyl)pentyl]-6-fluoro-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[2-(bromomethyl)pentyl]-6-fluoro-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[2-(bromomethyl)pentyl]-6-fluoro-3,4-dihydroquinolin-2-one is CCCC(CBr)CN1C(=O)CCc2cc(F)ccc21.
What is the InChIKey of 1-[2-(bromomethyl)pentyl]-6-fluoro-3,4-dihydroquinolin-2-one?
The InChIKey is BIGZHJFNNKHXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO/c1-2-3-11(9-16)10-18-14-6-5-13(17)8-12(14)4-7-15(18)19/h5-6,8,11H,2-4,7,9-10H2,1H3.
What are the key properties of 1-[2-(bromomethyl)pentyl]-6-fluoro-3,4-dihydroquinolin-2-one?
1-[2-(bromomethyl)pentyl]-6-fluoro-3,4-dihydroquinolin-2-one has a molecular weight of 328.23 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)pentyl]-6-fluoro-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 65010692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).