3-(2-aminoethyl)-7-fluoro-1-methylquinolin-2-one

C12H13FN2O — CID 115031918

IUPAC3-(2-aminoethyl)-7-fluoro-1-methylquinolin-2-one
SMILESCn1c(=O)c(CCN)cc2ccc(F)cc21
InChIInChI=1S/C12H13FN2O/c1-15-11-7-10(13)3-2-8(11)6-9(4-5-14)12(15)16/h2-3,6-7H,4-5,14H2,1H3
InChIKeyODOVSBMJZWCCGX-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.18
Rot. Bonds2

About 3-(2-aminoethyl)-7-fluoro-1-methylquinolin-2-one

3-(2-aminoethyl)-7-fluoro-1-methylquinolin-2-one (PubChem CID 115031918) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 3-(2-aminoethyl)-7-fluoro-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-(2-aminoethyl)-7-fluoro-1-methylquinolin-2-one
PubChem CID115031918
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name3-(2-aminoethyl)-7-fluoro-1-methylquinolin-2-one
SMILESCn1c(=O)c(CCN)cc2ccc(F)cc21
InChIInChI=1S/C12H13FN2O/c1-15-11-7-10(13)3-2-8(11)6-9(4-5-14)12(15)16/h2-3,6-7H,4-5,14H2,1H3
InChIKeyODOVSBMJZWCCGX-UHFFFAOYSA-N
XLogP1.18
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminoethyl)-1,7-dimethylquinolin-2-one
CID 115029633
3-(4-aminobutyl)-1,7-dimethylquinolin-2-one
CID 84631405
3-(1-aminoethyl)-7-fluoro-1-methylquinolin-2-one
CID 84623500
2-(5-fluoro-1-methylindol-2-yl)ethanamine
CID 55253436
6-fluoro-1-methylindole-2-carboxamide
CID 4777701
3-(2-aminoethyl)-1-ethylquinolin-2-one
CID 102537317
2-(6-fluoro-1-methylindol-5-yl)ethanamine;hydrochloride
CID 135381436
3-(hydroxymethyl)-1,7-dimethylquinolin-2-one
CID 18802191
3-(3-aminopropyl)-1-methyl-6-propan-2-ylquinolin-2-one
CID 84637230
2-(6-fluoro-1-propylindol-3-yl)ethanamine
CID 54594691
1-(6-fluoro-1-methylindol-2-yl)pyrrolidine-2,5-dione
CID 122233169
3-ethyl-7-methoxy-1-methylquinolin-2-one
CID 143543946

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-7-fluoro-1-methylquinolin-2-one?
The IUPAC name of 3-(2-aminoethyl)-7-fluoro-1-methylquinolin-2-one (CID 115031918) is 3-(2-aminoethyl)-7-fluoro-1-methylquinolin-2-one.
What is the SMILES notation for 3-(2-aminoethyl)-7-fluoro-1-methylquinolin-2-one?
The canonical SMILES for 3-(2-aminoethyl)-7-fluoro-1-methylquinolin-2-one is Cn1c(=O)c(CCN)cc2ccc(F)cc21.
What is the InChIKey of 3-(2-aminoethyl)-7-fluoro-1-methylquinolin-2-one?
The InChIKey is ODOVSBMJZWCCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-15-11-7-10(13)3-2-8(11)6-9(4-5-14)12(15)16/h2-3,6-7H,4-5,14H2,1H3.
What are the key properties of 3-(2-aminoethyl)-7-fluoro-1-methylquinolin-2-one?
3-(2-aminoethyl)-7-fluoro-1-methylquinolin-2-one has a molecular weight of 220.25 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-7-fluoro-1-methylquinolin-2-one is sourced from PubChem (CID 115031918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).