4-(2-aminoethyl)-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one

C12H15FN2O — CID 84624080

IUPAC4-(2-aminoethyl)-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CC(CCN)c2ccc(F)cc21
InChIInChI=1S/C12H15FN2O/c1-15-11-7-9(13)2-3-10(11)8(4-5-14)6-12(15)16/h2-3,7-8H,4-6,14H2,1H3
InChIKeyFWZXZCDWKFCLRJ-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.62
Rot. Bonds2

About 4-(2-aminoethyl)-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one

4-(2-aminoethyl)-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 84624080) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 4-(2-aminoethyl)-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID84624080
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name4-(2-aminoethyl)-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CC(CCN)c2ccc(F)cc21
InChIInChI=1S/C12H15FN2O/c1-15-11-7-9(13)2-3-10(11)8(4-5-14)6-12(15)16/h2-3,7-8H,4-6,14H2,1H3
InChIKeyFWZXZCDWKFCLRJ-UHFFFAOYSA-N
XLogP1.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-aminoethyl)-1,7-dimethyl-3,4-dihydroquinolin-2-one
CID 84622908
7-fluoro-1,4-dimethyl-3,4-dihydroquinolin-2-one
CID 142301736
4-(2-aminoethyl)-1,6-dimethyl-3,4-dihydroquinolin-2-one
CID 84622894
8-(2-aminoethyl)-5-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 84633023
7-chloro-1-methyl-4-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 84634754
(6-fluoro-1-methyl-2,3-dihydroindol-3-yl)methanamine
CID 82277185
6-fluoro-1-methyl-4-(methylamino)-3,4-dihydroquinolin-2-one
CID 84621050
(1-ethyl-6-fluoro-2,3-dihydroindol-3-yl)methanamine
CID 82277196
7-fluoro-1,4-dimethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one
CID 84621066
N,N-dimethylmethanamine;2-[(9R)-13-fluoro-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]ethanamine
CID 143335823
4-(aminomethyl)-1-[5-fluoro-2-(methylamino)phenyl]pyrrolidin-2-one
CID 168659436
(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl-propan-2-ylazanium chloride
CID 165145531

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 4-(2-aminoethyl)-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one (CID 84624080) is 4-(2-aminoethyl)-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 4-(2-aminoethyl)-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 4-(2-aminoethyl)-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CC(CCN)c2ccc(F)cc21.
What is the InChIKey of 4-(2-aminoethyl)-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is FWZXZCDWKFCLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-15-11-7-9(13)2-3-10(11)8(4-5-14)6-12(15)16/h2-3,7-8H,4-6,14H2,1H3.
What are the key properties of 4-(2-aminoethyl)-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one?
4-(2-aminoethyl)-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 222.26 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 84624080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).