6-[(2-bromofuran-3-yl)-(methylamino)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one

C15H14BrFN2O2 — CID 106851594

IUPAC6-[(2-bromofuran-3-yl)-(methylamino)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESCNC(c1cc2c(cc1F)NC(=O)CC2)c1ccoc1Br
InChIInChI=1S/C15H14BrFN2O2/c1-18-14(9-4-5-21-15(9)16)10-6-8-2-3-13(20)19-12(8)7-11(10)17/h4-7,14,18H,2-3H2,1H3,(H,19,20)
InChIKeyJAMWFXZLXCJPRG-UHFFFAOYSA-N
MW353.19 g/mol
LogP3.37
Rot. Bonds3

About 6-[(2-bromofuran-3-yl)-(methylamino)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one

6-[(2-bromofuran-3-yl)-(methylamino)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 106851594) has the molecular formula C15H14BrFN2O2 and a molecular weight of 353.19 g/mol. Its IUPAC name is 6-[(2-bromofuran-3-yl)-(methylamino)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(2-bromofuran-3-yl)-(methylamino)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
PubChem CID106851594
Molecular FormulaC15H14BrFN2O2
Molecular Weight353.19 g/mol
Exact Mass352.02
IUPAC Name6-[(2-bromofuran-3-yl)-(methylamino)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESCNC(c1cc2c(cc1F)NC(=O)CC2)c1ccoc1Br
InChIInChI=1S/C15H14BrFN2O2/c1-18-14(9-4-5-21-15(9)16)10-6-8-2-3-13(20)19-12(8)7-11(10)17/h4-7,14,18H,2-3H2,1H3,(H,19,20)
InChIKeyJAMWFXZLXCJPRG-UHFFFAOYSA-N
XLogP3.37
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[(2-bromofuran-3-yl)-(methylamino)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

7-[(2-bromofuran-3-yl)-(methylamino)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 106851590
6-[2-ethyl-1-(methylamino)butyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43487537
7-fluoro-6-[3-methyl-1-(methylamino)butyl]-3,4-dihydro-1H-quinolin-2-one
CID 43487531
7-fluoro-6-[methylamino-(2-methylcyclopropyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 43487536
7-fluoro-6-[4-methyl-1-(methylamino)pentyl]-3,4-dihydro-1H-quinolin-2-one
CID 43487524
6-[(5-bromofuran-2-yl)-chloromethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 61085252
6-[chloro-(2-fluorophenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 61086278
6-bromo-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457689
6-chloro-5-[methylamino-(2-methylfuran-3-yl)methyl]-1,3-dihydroindol-2-one
CID 43487548
1-(2-bromofuran-3-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 106857490
6-[amino-(5-chlorofuran-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 106684062
6-(1-chloro-2-phenylethyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 61083648

Frequently Asked Questions

What is the IUPAC name of 6-[(2-bromofuran-3-yl)-(methylamino)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(2-bromofuran-3-yl)-(methylamino)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one (CID 106851594) is 6-[(2-bromofuran-3-yl)-(methylamino)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(2-bromofuran-3-yl)-(methylamino)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(2-bromofuran-3-yl)-(methylamino)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one is CNC(c1cc2c(cc1F)NC(=O)CC2)c1ccoc1Br.
What is the InChIKey of 6-[(2-bromofuran-3-yl)-(methylamino)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is JAMWFXZLXCJPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O2/c1-18-14(9-4-5-21-15(9)16)10-6-8-2-3-13(20)19-12(8)7-11(10)17/h4-7,14,18H,2-3H2,1H3,(H,19,20).
What are the key properties of 6-[(2-bromofuran-3-yl)-(methylamino)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
6-[(2-bromofuran-3-yl)-(methylamino)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 353.19 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-bromofuran-3-yl)-(methylamino)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 106851594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).