3-(2-aminoethyl)-8-chloro-1,4-dimethylquinolin-2-one

C13H15ClN2O — CID 84634094

IUPAC3-(2-aminoethyl)-8-chloro-1,4-dimethylquinolin-2-one
SMILESCc1c(CCN)c(=O)n(C)c2c(Cl)cccc12
InChIInChI=1S/C13H15ClN2O/c1-8-9-4-3-5-11(14)12(9)16(2)13(17)10(8)6-7-15/h3-5H,6-7,15H2,1-2H3
InChIKeyHORIKOFVAJNREE-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.00
Rot. Bonds2

About 3-(2-aminoethyl)-8-chloro-1,4-dimethylquinolin-2-one

3-(2-aminoethyl)-8-chloro-1,4-dimethylquinolin-2-one (PubChem CID 84634094) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 3-(2-aminoethyl)-8-chloro-1,4-dimethylquinolin-2-one.

Molecular Properties

Compound Name3-(2-aminoethyl)-8-chloro-1,4-dimethylquinolin-2-one
PubChem CID84634094
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name3-(2-aminoethyl)-8-chloro-1,4-dimethylquinolin-2-one
SMILESCc1c(CCN)c(=O)n(C)c2c(Cl)cccc12
InChIInChI=1S/C13H15ClN2O/c1-8-9-4-3-5-11(14)12(9)16(2)13(17)10(8)6-7-15/h3-5H,6-7,15H2,1-2H3
InChIKeyHORIKOFVAJNREE-UHFFFAOYSA-N
XLogP2.00
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-1,4-dimethyl-3-[2-(methylamino)ethyl]quinolin-2-one
CID 84639727
8-fluoro-1,4-dimethyl-3-[2-(methylamino)ethyl]quinolin-2-one
CID 84633123
2-(7-chloro-1,3-dimethylindol-2-yl)propan-1-amine
CID 83868342
8-ethyl-1,4-dimethyl-3-[2-(methylamino)ethyl]quinolin-2-one
CID 84637259
2-(2-chloro-6-methylphenyl)ethanamine
CID 84731855
2-(7-chloro-1,2-dimethylindol-3-yl)acetic acid
CID 82497008
2-(7-chloro-1,2-dimethylindol-3-yl)propan-1-amine
CID 82496910
1-(7-chloro-1,3-dimethylindol-2-yl)-N-methylethanamine
CID 83868332
1-(2,7-dichloro-1-methylindol-3-yl)ethanone
CID 82269332
2-[1,3-dimethyl-7-(trifluoromethyl)indol-2-yl]ethanamine
CID 83919995
8-(2-aminoethyl)-1-[(4-chloro-1H-indol-2-yl)methyl]-3,7-dimethylpurine-2,6-dione
CID 129250258
2-(3-aminopropyl)-5-chloro-3-methylphthalazine-1,4-dione
CID 90682383

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-8-chloro-1,4-dimethylquinolin-2-one?
The IUPAC name of 3-(2-aminoethyl)-8-chloro-1,4-dimethylquinolin-2-one (CID 84634094) is 3-(2-aminoethyl)-8-chloro-1,4-dimethylquinolin-2-one.
What is the SMILES notation for 3-(2-aminoethyl)-8-chloro-1,4-dimethylquinolin-2-one?
The canonical SMILES for 3-(2-aminoethyl)-8-chloro-1,4-dimethylquinolin-2-one is Cc1c(CCN)c(=O)n(C)c2c(Cl)cccc12.
What is the InChIKey of 3-(2-aminoethyl)-8-chloro-1,4-dimethylquinolin-2-one?
The InChIKey is HORIKOFVAJNREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-8-9-4-3-5-11(14)12(9)16(2)13(17)10(8)6-7-15/h3-5H,6-7,15H2,1-2H3.
What are the key properties of 3-(2-aminoethyl)-8-chloro-1,4-dimethylquinolin-2-one?
3-(2-aminoethyl)-8-chloro-1,4-dimethylquinolin-2-one has a molecular weight of 250.73 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-8-chloro-1,4-dimethylquinolin-2-one is sourced from PubChem (CID 84634094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).