6-[2-(2-aminoethyl)-1,3-oxazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one

C15H17N3O2 — CID 95474315

IUPAC6-[2-(2-aminoethyl)-1,3-oxazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(-c3cnc(CCN)o3)ccc21
InChIInChI=1S/C15H17N3O2/c1-18-12-4-2-11(8-10(12)3-5-15(18)19)13-9-17-14(20-13)6-7-16/h2,4,8-9H,3,5-7,16H2,1H3
InChIKeyZGIFQLUBROQQCE-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.75
Rot. Bonds3

About 6-[2-(2-aminoethyl)-1,3-oxazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one

6-[2-(2-aminoethyl)-1,3-oxazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 95474315) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 6-[2-(2-aminoethyl)-1,3-oxazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[2-(2-aminoethyl)-1,3-oxazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID95474315
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name6-[2-(2-aminoethyl)-1,3-oxazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(-c3cnc(CCN)o3)ccc21
InChIInChI=1S/C15H17N3O2/c1-18-12-4-2-11(8-10(12)3-5-15(18)19)13-9-17-14(20-13)6-7-16/h2,4,8-9H,3,5-7,16H2,1H3
InChIKeyZGIFQLUBROQQCE-UHFFFAOYSA-N
XLogP1.75
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-aminoethyl)-1,3-oxazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-[2-(2-aminoethyl)-1,3-oxazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one (CID 95474315) is 6-[2-(2-aminoethyl)-1,3-oxazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-[2-(2-aminoethyl)-1,3-oxazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-[2-(2-aminoethyl)-1,3-oxazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(-c3cnc(CCN)o3)ccc21.
What is the InChIKey of 6-[2-(2-aminoethyl)-1,3-oxazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is ZGIFQLUBROQQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-18-12-4-2-11(8-10(12)3-5-15(18)19)13-9-17-14(20-13)6-7-16/h2,4,8-9H,3,5-7,16H2,1H3.
What are the key properties of 6-[2-(2-aminoethyl)-1,3-oxazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one?
6-[2-(2-aminoethyl)-1,3-oxazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 271.32 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-aminoethyl)-1,3-oxazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 95474315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).