6-[amino(azetidin-3-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one

C14H19N3O — CID 116935319

IUPAC6-[amino(azetidin-3-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C(N)C3CNC3)ccc21
InChIInChI=1S/C14H19N3O/c1-17-12-4-2-10(14(15)11-7-16-8-11)6-9(12)3-5-13(17)18/h2,4,6,11,14,16H,3,5,7-8,15H2,1H3
InChIKeyBKKKICFZLCERDO-UHFFFAOYSA-N
MW245.33 g/mol
LogP0.81
Rot. Bonds2

About 6-[amino(azetidin-3-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one

6-[amino(azetidin-3-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 116935319) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 6-[amino(azetidin-3-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[amino(azetidin-3-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID116935319
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name6-[amino(azetidin-3-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C(N)C3CNC3)ccc21
InChIInChI=1S/C14H19N3O/c1-17-12-4-2-10(14(15)11-7-16-8-11)6-9(12)3-5-13(17)18/h2,4,6,11,14,16H,3,5,7-8,15H2,1H3
InChIKeyBKKKICFZLCERDO-UHFFFAOYSA-N
XLogP0.81
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[amino(oxan-3-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 63106866
6-(1-amino-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63105964
6-(1-amino-2-cyclopentylethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63104828
6-(1-amino-2-chloroethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116937542
6-(1-amino-2-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116859555
6-(1,3-diaminopropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116932774
6-[cycloheptyl(hydroxy)methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 63106320
6-(1-amino-2-cyclohexylethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63105199
6-(1-amino-2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116942089
3-amino-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanenitrile
CID 116851226
6-(2-cyclopropyl-1-hydroxyethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63107261
6-(2-cyclopropyl-1-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 83148581

Frequently Asked Questions

What is the IUPAC name of 6-[amino(azetidin-3-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-[amino(azetidin-3-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one (CID 116935319) is 6-[amino(azetidin-3-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-[amino(azetidin-3-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-[amino(azetidin-3-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(C(N)C3CNC3)ccc21.
What is the InChIKey of 6-[amino(azetidin-3-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is BKKKICFZLCERDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-17-12-4-2-10(14(15)11-7-16-8-11)6-9(12)3-5-13(17)18/h2,4,6,11,14,16H,3,5,7-8,15H2,1H3.
What are the key properties of 6-[amino(azetidin-3-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one?
6-[amino(azetidin-3-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 245.33 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino(azetidin-3-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 116935319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).