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

C15H19FN2O — CID 43487536

IUPAC7-fluoro-6-[methylamino-(2-methylcyclopropyl)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCNC(c1cc2c(cc1F)NC(=O)CC2)C1CC1C
InChIInChI=1S/C15H19FN2O/c1-8-5-10(8)15(17-2)11-6-9-3-4-14(19)18-13(9)7-12(11)16/h6-8,10,15,17H,3-5H2,1-2H3,(H,18,19)
InChIKeyXTUBUYJQNSVJHU-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.63
Rot. Bonds3

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

7-fluoro-6-[methylamino-(2-methylcyclopropyl)methyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43487536) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 7-fluoro-6-[methylamino-(2-methylcyclopropyl)methyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-6-[methylamino-(2-methylcyclopropyl)methyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID43487536
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name7-fluoro-6-[methylamino-(2-methylcyclopropyl)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCNC(c1cc2c(cc1F)NC(=O)CC2)C1CC1C
InChIInChI=1S/C15H19FN2O/c1-8-5-10(8)15(17-2)11-6-9-3-4-14(19)18-13(9)7-12(11)16/h6-8,10,15,17H,3-5H2,1-2H3,(H,18,19)
InChIKeyXTUBUYJQNSVJHU-UHFFFAOYSA-N
XLogP2.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-[chloro-(2-methylcyclopentyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 107182090
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-[4-methyl-1-(methylamino)pentyl]-3,4-dihydro-1H-quinolin-2-one
CID 43487524
6-[(2-bromofuran-3-yl)-(methylamino)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 106851594
6-[cyclohexyl(hydroxy)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 61081459
6-[chloro-(2-fluorophenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 61086278
6-[amino(cyclobutyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43383703
6-[1-(ethylamino)butyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43493677
7-fluoro-6-(2,2,3,3,3-pentafluoro-1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 61083240
6-[bromo(cycloheptyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 63442796
6-[2-cyclopropyl-1-(ethylamino)propyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 83149790

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-[methylamino-(2-methylcyclopropyl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-fluoro-6-[methylamino-(2-methylcyclopropyl)methyl]-3,4-dihydro-1H-quinolin-2-one (CID 43487536) is 7-fluoro-6-[methylamino-(2-methylcyclopropyl)methyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-fluoro-6-[methylamino-(2-methylcyclopropyl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-fluoro-6-[methylamino-(2-methylcyclopropyl)methyl]-3,4-dihydro-1H-quinolin-2-one is CNC(c1cc2c(cc1F)NC(=O)CC2)C1CC1C.
What is the InChIKey of 7-fluoro-6-[methylamino-(2-methylcyclopropyl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is XTUBUYJQNSVJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-8-5-10(8)15(17-2)11-6-9-3-4-14(19)18-13(9)7-12(11)16/h6-8,10,15,17H,3-5H2,1-2H3,(H,18,19).
What are the key properties of 7-fluoro-6-[methylamino-(2-methylcyclopropyl)methyl]-3,4-dihydro-1H-quinolin-2-one?
7-fluoro-6-[methylamino-(2-methylcyclopropyl)methyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 262.33 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-[methylamino-(2-methylcyclopropyl)methyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43487536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).