7-(3-amino-1,2-oxazol-5-yl)-1-methyl-3,4-dihydroquinolin-2-one

C13H13N3O2 — CID 117359646

IUPAC7-(3-amino-1,2-oxazol-5-yl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2ccc(-c3cc(N)no3)cc21
InChIInChI=1S/C13H13N3O2/c1-16-10-6-9(11-7-12(14)15-18-11)3-2-8(10)4-5-13(16)17/h2-3,6-7H,4-5H2,1H3,(H2,14,15)
InChIKeyUGJVVOSCGZFNDP-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.83
Rot. Bonds1

About 7-(3-amino-1,2-oxazol-5-yl)-1-methyl-3,4-dihydroquinolin-2-one

7-(3-amino-1,2-oxazol-5-yl)-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 117359646) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 7-(3-amino-1,2-oxazol-5-yl)-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name7-(3-amino-1,2-oxazol-5-yl)-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID117359646
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name7-(3-amino-1,2-oxazol-5-yl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2ccc(-c3cc(N)no3)cc21
InChIInChI=1S/C13H13N3O2/c1-16-10-6-9(11-7-12(14)15-18-11)3-2-8(10)4-5-13(16)17/h2-3,6-7H,4-5H2,1H3,(H2,14,15)
InChIKeyUGJVVOSCGZFNDP-UHFFFAOYSA-N
XLogP1.83
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(3-amino-1,2-oxazol-5-yl)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82483862
5-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-1,2-oxazol-3-amine
CID 117330704
1,7-dimethyl-3,4-dihydroquinolin-2-one
CID 54207242
5-(1,3-dihydro-2-benzofuran-5-yl)-1,2-oxazol-3-amine
CID 66200815
1-methyl-2-oxo-3,4-dihydroquinoline-7-carbaldehyde
CID 83483627
1-methyl-2-oxo-3,4-dihydroquinoline-7-carboxamide
CID 175851007
5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazol-3-amine
CID 117308010
6-(2-amino-5-bromo-1-methylimidazol-4-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 84610373
6-[2-(2-aminoethyl)-1,3-oxazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one
CID 95474315
6-(2-amino-5-methyl-1H-imidazol-4-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 82482606
4-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-1-methylpiperazine-2,6-dione
CID 117461655
6-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-1-methyl-3H-indol-2-one
CID 117362341

Frequently Asked Questions

What is the IUPAC name of 7-(3-amino-1,2-oxazol-5-yl)-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 7-(3-amino-1,2-oxazol-5-yl)-1-methyl-3,4-dihydroquinolin-2-one (CID 117359646) is 7-(3-amino-1,2-oxazol-5-yl)-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 7-(3-amino-1,2-oxazol-5-yl)-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 7-(3-amino-1,2-oxazol-5-yl)-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2ccc(-c3cc(N)no3)cc21.
What is the InChIKey of 7-(3-amino-1,2-oxazol-5-yl)-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is UGJVVOSCGZFNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-16-10-6-9(11-7-12(14)15-18-11)3-2-8(10)4-5-13(16)17/h2-3,6-7H,4-5H2,1H3,(H2,14,15).
What are the key properties of 7-(3-amino-1,2-oxazol-5-yl)-1-methyl-3,4-dihydroquinolin-2-one?
7-(3-amino-1,2-oxazol-5-yl)-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 243.27 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-amino-1,2-oxazol-5-yl)-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 117359646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).