6-[1-amino-2-(1-methoxycyclobutyl)ethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one

C16H21FN2O2 — CID 103556144

IUPAC6-[1-amino-2-(1-methoxycyclobutyl)ethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESCOC1(CC(N)c2cc3c(cc2F)NC(=O)CC3)CCC1
InChIInChI=1S/C16H21FN2O2/c1-21-16(5-2-6-16)9-13(18)11-7-10-3-4-15(20)19-14(10)8-12(11)17/h7-8,13H,2-6,9,18H2,1H3,(H,19,20)
InChIKeyUQFHUEFBORWUAZ-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.67
Rot. Bonds4

About 6-[1-amino-2-(1-methoxycyclobutyl)ethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one

6-[1-amino-2-(1-methoxycyclobutyl)ethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 103556144) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 6-[1-amino-2-(1-methoxycyclobutyl)ethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[1-amino-2-(1-methoxycyclobutyl)ethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
PubChem CID103556144
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name6-[1-amino-2-(1-methoxycyclobutyl)ethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESCOC1(CC(N)c2cc3c(cc2F)NC(=O)CC3)CCC1
InChIInChI=1S/C16H21FN2O2/c1-21-16(5-2-6-16)9-13(18)11-7-10-3-4-15(20)19-14(10)8-12(11)17/h7-8,13H,2-6,9,18H2,1H3,(H,19,20)
InChIKeyUQFHUEFBORWUAZ-UHFFFAOYSA-N
XLogP2.67
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[1-amino-2-(1-methoxycyclobutyl)ethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

7-[1-amino-2-(1-methoxycyclobutyl)ethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103556136
6-[1-amino-2-(2,2,2-trifluoroethoxy)ethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 103207168
6-amino-6-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)hexanamide
CID 60860353
6-[amino(cyclobutyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43383703
6-(1-amino-2-methylpentyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457682
7-fluoro-6-(2,2,3,3,3-pentafluoro-1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 61083240
6-[amino-(4-chlorophenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457663
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
1-(2,3-difluoro-4-methylphenyl)-2-(1-methoxycyclobutyl)ethanamine
CID 107515843
6-[cyclohexyl(hydroxy)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 61081459
6-[1-(ethylamino)butyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43493677

Frequently Asked Questions

What is the IUPAC name of 6-[1-amino-2-(1-methoxycyclobutyl)ethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[1-amino-2-(1-methoxycyclobutyl)ethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one (CID 103556144) is 6-[1-amino-2-(1-methoxycyclobutyl)ethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[1-amino-2-(1-methoxycyclobutyl)ethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[1-amino-2-(1-methoxycyclobutyl)ethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one is COC1(CC(N)c2cc3c(cc2F)NC(=O)CC3)CCC1.
What is the InChIKey of 6-[1-amino-2-(1-methoxycyclobutyl)ethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is UQFHUEFBORWUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-21-16(5-2-6-16)9-13(18)11-7-10-3-4-15(20)19-14(10)8-12(11)17/h7-8,13H,2-6,9,18H2,1H3,(H,19,20).
What are the key properties of 6-[1-amino-2-(1-methoxycyclobutyl)ethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
6-[1-amino-2-(1-methoxycyclobutyl)ethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 292.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-amino-2-(1-methoxycyclobutyl)ethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 103556144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).