6-(1-amino-2-chloroethyl)-1-methyl-3,4-dihydroquinolin-2-one

C12H15ClN2O — CID 116937542

IUPAC6-(1-amino-2-chloroethyl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C(N)CCl)ccc21
InChIInChI=1S/C12H15ClN2O/c1-15-11-4-2-8(10(14)7-13)6-9(11)3-5-12(15)16/h2,4,6,10H,3,5,7,14H2,1H3
InChIKeyFQRZJAPWXBJZHX-UHFFFAOYSA-N
MW238.72 g/mol
LogP1.83
Rot. Bonds2

About 6-(1-amino-2-chloroethyl)-1-methyl-3,4-dihydroquinolin-2-one

6-(1-amino-2-chloroethyl)-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 116937542) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 6-(1-amino-2-chloroethyl)-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-(1-amino-2-chloroethyl)-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID116937542
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name6-(1-amino-2-chloroethyl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C(N)CCl)ccc21
InChIInChI=1S/C12H15ClN2O/c1-15-11-4-2-8(10(14)7-13)6-9(11)3-5-12(15)16/h2,4,6,10H,3,5,7,14H2,1H3
InChIKeyFQRZJAPWXBJZHX-UHFFFAOYSA-N
XLogP1.83
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-(1,3-diaminopropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116932774
3-amino-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanenitrile
CID 116851226
methyl 3-amino-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoate
CID 116940125
6-(1-amino-2-cyclopentylethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63104828
6-(1-amino-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63105964
6-(1-amino-2-cyclohexylethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63105199
6-(1-amino-2-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116859555
6-(1-hydroxybutyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63106881
6-(1-amino-2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116942089
6-(1,3-dihydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 82291111
6-(1-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 117312785
6-[2-amino-1-(methylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 116855688

Frequently Asked Questions

What is the IUPAC name of 6-(1-amino-2-chloroethyl)-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-(1-amino-2-chloroethyl)-1-methyl-3,4-dihydroquinolin-2-one (CID 116937542) is 6-(1-amino-2-chloroethyl)-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-(1-amino-2-chloroethyl)-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-(1-amino-2-chloroethyl)-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(C(N)CCl)ccc21.
What is the InChIKey of 6-(1-amino-2-chloroethyl)-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is FQRZJAPWXBJZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-15-11-4-2-8(10(14)7-13)6-9(11)3-5-12(15)16/h2,4,6,10H,3,5,7,14H2,1H3.
What are the key properties of 6-(1-amino-2-chloroethyl)-1-methyl-3,4-dihydroquinolin-2-one?
6-(1-amino-2-chloroethyl)-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 238.72 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-amino-2-chloroethyl)-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 116937542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).