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

C15H17BrFNO — CID 65007723

IUPAC1-[[1-(bromomethyl)cyclobutyl]methyl]-6-fluoro-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2cc(F)ccc2N1CC1(CBr)CCC1
InChIInChI=1S/C15H17BrFNO/c16-9-15(6-1-7-15)10-18-13-4-3-12(17)8-11(13)2-5-14(18)19/h3-4,8H,1-2,5-7,9-10H2
InChIKeyZMQZDBSPRRMJFR-UHFFFAOYSA-N
MW326.21 g/mol
LogP3.67
Rot. Bonds3

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

1-[[1-(bromomethyl)cyclobutyl]methyl]-6-fluoro-3,4-dihydroquinolin-2-one (PubChem CID 65007723) has the molecular formula C15H17BrFNO and a molecular weight of 326.21 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cyclobutyl]methyl]-6-fluoro-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cyclobutyl]methyl]-6-fluoro-3,4-dihydroquinolin-2-one
PubChem CID65007723
Molecular FormulaC15H17BrFNO
Molecular Weight326.21 g/mol
Exact Mass325.05
IUPAC Name1-[[1-(bromomethyl)cyclobutyl]methyl]-6-fluoro-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2cc(F)ccc2N1CC1(CBr)CCC1
InChIInChI=1S/C15H17BrFNO/c16-9-15(6-1-7-15)10-18-13-4-3-12(17)8-11(13)2-5-14(18)19/h3-4,8H,1-2,5-7,9-10H2
InChIKeyZMQZDBSPRRMJFR-UHFFFAOYSA-N
XLogP3.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 53.67
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-[[1-(bromomethyl)cyclobutyl]methyl]-6-fluoro-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[[1-(bromomethyl)cyclobutyl]methyl]-6-fluoro-3,4-dihydroquinolin-2-one (CID 65007723) is 1-[[1-(bromomethyl)cyclobutyl]methyl]-6-fluoro-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[[1-(bromomethyl)cyclobutyl]methyl]-6-fluoro-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[[1-(bromomethyl)cyclobutyl]methyl]-6-fluoro-3,4-dihydroquinolin-2-one is O=C1CCc2cc(F)ccc2N1CC1(CBr)CCC1.
What is the InChIKey of 1-[[1-(bromomethyl)cyclobutyl]methyl]-6-fluoro-3,4-dihydroquinolin-2-one?
The InChIKey is ZMQZDBSPRRMJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNO/c16-9-15(6-1-7-15)10-18-13-4-3-12(17)8-11(13)2-5-14(18)19/h3-4,8H,1-2,5-7,9-10H2.
What are the key properties of 1-[[1-(bromomethyl)cyclobutyl]methyl]-6-fluoro-3,4-dihydroquinolin-2-one?
1-[[1-(bromomethyl)cyclobutyl]methyl]-6-fluoro-3,4-dihydroquinolin-2-one has a molecular weight of 326.21 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cyclobutyl]methyl]-6-fluoro-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 65007723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).