3-[(1S)-1-aminoethyl]-6-chloro-1-methylquinolin-2-one;hydrochloride

C12H14Cl2N2O — CID 118953926

IUPAC3-[(1S)-1-aminoethyl]-6-chloro-1-methylquinolin-2-one;hydrochloride
SMILESC[C@H](N)c1cc2cc(Cl)ccc2n(C)c1=O.Cl
InChIInChI=1S/C12H13ClN2O.ClH/c1-7(14)10-6-8-5-9(13)3-4-11(8)15(2)12(10)16;/h3-7H,14H2,1-2H3;1H/t7-;/m0./s1
InChIKeyFKGNSKHVZSETIN-FJXQXJEOSA-N
MW273.16 g/mol
LogP2.63
Rot. Bonds1

About 3-[(1S)-1-aminoethyl]-6-chloro-1-methylquinolin-2-one;hydrochloride

3-[(1S)-1-aminoethyl]-6-chloro-1-methylquinolin-2-one;hydrochloride (PubChem CID 118953926) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is 3-[(1S)-1-aminoethyl]-6-chloro-1-methylquinolin-2-one;hydrochloride.

Molecular Properties

Compound Name3-[(1S)-1-aminoethyl]-6-chloro-1-methylquinolin-2-one;hydrochloride
PubChem CID118953926
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC Name3-[(1S)-1-aminoethyl]-6-chloro-1-methylquinolin-2-one;hydrochloride
SMILESC[C@H](N)c1cc2cc(Cl)ccc2n(C)c1=O.Cl
InChIInChI=1S/C12H13ClN2O.ClH/c1-7(14)10-6-8-5-9(13)3-4-11(8)15(2)12(10)16;/h3-7H,14H2,1-2H3;1H/t7-;/m0./s1
InChIKeyFKGNSKHVZSETIN-FJXQXJEOSA-N
XLogP2.63
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-aminoethyl)-6-tert-butyl-1-methylquinolin-2-one
CID 84637233
3-(1-aminoethyl)-7-fluoro-1-methylquinolin-2-one
CID 84623500
1-(5-chloro-1-methylindol-2-yl)propan-2-amine
CID 82662230
3-acetyl-6-chloro-1-methylquinolin-2-one
CID 118953914
methyl 2-amino-2-(5-chloro-1-methylindol-2-yl)acetate
CID 115072020
5-chloro-1-methyl-2-(propan-2-ylsulfonylmethyl)indole
CID 117176680
2-(6-fluoro-1-methyl-2-oxoquinolin-3-yl)propanenitrile
CID 84625979
(1R)-1-(6-chloro-1-methylindol-3-yl)ethanamine
CID 95433151
2-(5-chloro-1-methylindol-2-yl)-2-hydroxyacetic acid
CID 115072026
6-chloro-1-methyl-3-[(2R)-4-[4-(3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]butan-2-yl]quinolin-2-one
CID 145049130
2-[(1R)-1-aminoethyl]-4-chloroaniline;hydrochloride
CID 171214203
3-(1-aminoethyl)-1,5,8-trimethylquinolin-2-one
CID 84626184

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-aminoethyl]-6-chloro-1-methylquinolin-2-one;hydrochloride?
The IUPAC name of 3-[(1S)-1-aminoethyl]-6-chloro-1-methylquinolin-2-one;hydrochloride (CID 118953926) is 3-[(1S)-1-aminoethyl]-6-chloro-1-methylquinolin-2-one;hydrochloride.
What is the SMILES notation for 3-[(1S)-1-aminoethyl]-6-chloro-1-methylquinolin-2-one;hydrochloride?
The canonical SMILES for 3-[(1S)-1-aminoethyl]-6-chloro-1-methylquinolin-2-one;hydrochloride is C[C@H](N)c1cc2cc(Cl)ccc2n(C)c1=O.Cl.
What is the InChIKey of 3-[(1S)-1-aminoethyl]-6-chloro-1-methylquinolin-2-one;hydrochloride?
The InChIKey is FKGNSKHVZSETIN-FJXQXJEOSA-N. The full InChI is InChI=1S/C12H13ClN2O.ClH/c1-7(14)10-6-8-5-9(13)3-4-11(8)15(2)12(10)16;/h3-7H,14H2,1-2H3;1H/t7-;/m0./s1.
What are the key properties of 3-[(1S)-1-aminoethyl]-6-chloro-1-methylquinolin-2-one;hydrochloride?
3-[(1S)-1-aminoethyl]-6-chloro-1-methylquinolin-2-one;hydrochloride has a molecular weight of 273.16 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-aminoethyl]-6-chloro-1-methylquinolin-2-one;hydrochloride is sourced from PubChem (CID 118953926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).