3-(1-aminoethyl)-8-chloro-5-methoxy-1-methylquinolin-2-one

C13H15ClN2O2 — CID 84640265

IUPAC3-(1-aminoethyl)-8-chloro-5-methoxy-1-methylquinolin-2-one
SMILESCOc1ccc(Cl)c2c1cc(C(C)N)c(=O)n2C
InChIInChI=1S/C13H15ClN2O2/c1-7(15)8-6-9-11(18-3)5-4-10(14)12(9)16(2)13(8)17/h4-7H,15H2,1-3H3
InChIKeyIZHFGAVVISIRRB-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.22
Rot. Bonds2

About 3-(1-aminoethyl)-8-chloro-5-methoxy-1-methylquinolin-2-one

3-(1-aminoethyl)-8-chloro-5-methoxy-1-methylquinolin-2-one (PubChem CID 84640265) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 3-(1-aminoethyl)-8-chloro-5-methoxy-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-(1-aminoethyl)-8-chloro-5-methoxy-1-methylquinolin-2-one
PubChem CID84640265
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name3-(1-aminoethyl)-8-chloro-5-methoxy-1-methylquinolin-2-one
SMILESCOc1ccc(Cl)c2c1cc(C(C)N)c(=O)n2C
InChIInChI=1S/C13H15ClN2O2/c1-7(15)8-6-9-11(18-3)5-4-10(14)12(9)16(2)13(8)17/h4-7H,15H2,1-3H3
InChIKeyIZHFGAVVISIRRB-UHFFFAOYSA-N
XLogP2.22
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-aminoethyl)-8-chloro-5-methoxy-1H-quinolin-2-one
CID 84634732
3-(1-aminoethyl)-1,5,8-trimethylquinolin-2-one
CID 84626184
(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 171234656
5-(1-aminoethyl)-3-(3-chloro-4-methoxyphenyl)-1H-pyridazin-6-one
CID 82446359
3-[(1S)-1-aminoethyl]-6-chloro-1-methylquinolin-2-one;hydrochloride
CID 118953926
3-amino-6-(3-chloro-4-methoxyphenyl)-1-methylpyridin-2-one
CID 82467213
3-(1-aminoethyl)-6-(5-chloro-2-methoxyphenyl)-1-ethylpyridin-2-one
CID 82517220
1-(4-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 167530953
3-[amino-(2-methoxy-5-methylphenyl)methyl]-1,6-dimethylpyridin-2-one
CID 82525489
2-(4-chloro-7-methoxy-1-methylindol-2-yl)propan-2-amine
CID 84634779
2-[(1S)-1-aminoethyl]-6-chloro-3-methoxyphenol
CID 130804121
1-(7-chloro-4-methoxy-1,2-dimethylindol-3-yl)ethanone
CID 82499395

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-8-chloro-5-methoxy-1-methylquinolin-2-one?
The IUPAC name of 3-(1-aminoethyl)-8-chloro-5-methoxy-1-methylquinolin-2-one (CID 84640265) is 3-(1-aminoethyl)-8-chloro-5-methoxy-1-methylquinolin-2-one.
What is the SMILES notation for 3-(1-aminoethyl)-8-chloro-5-methoxy-1-methylquinolin-2-one?
The canonical SMILES for 3-(1-aminoethyl)-8-chloro-5-methoxy-1-methylquinolin-2-one is COc1ccc(Cl)c2c1cc(C(C)N)c(=O)n2C.
What is the InChIKey of 3-(1-aminoethyl)-8-chloro-5-methoxy-1-methylquinolin-2-one?
The InChIKey is IZHFGAVVISIRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-7(15)8-6-9-11(18-3)5-4-10(14)12(9)16(2)13(8)17/h4-7H,15H2,1-3H3.
What are the key properties of 3-(1-aminoethyl)-8-chloro-5-methoxy-1-methylquinolin-2-one?
3-(1-aminoethyl)-8-chloro-5-methoxy-1-methylquinolin-2-one has a molecular weight of 266.73 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-8-chloro-5-methoxy-1-methylquinolin-2-one is sourced from PubChem (CID 84640265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).