6-amino-1-methyl-4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]quinolin-2-one

C15H17N5O2 — CID 142478286

IUPAC6-amino-1-methyl-4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]quinolin-2-one
SMILESCc1nnc(C(C)Nc2cc(=O)n(C)c3ccc(N)cc23)o1
InChIInChI=1S/C15H17N5O2/c1-8(15-19-18-9(2)22-15)17-12-7-14(21)20(3)13-5-4-10(16)6-11(12)13/h4-8,17H,16H2,1-3H3
InChIKeyKWGNFKWHOAEMLB-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.99
Rot. Bonds3

About 6-amino-1-methyl-4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]quinolin-2-one

6-amino-1-methyl-4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]quinolin-2-one (PubChem CID 142478286) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 6-amino-1-methyl-4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]quinolin-2-one.

Molecular Properties

Compound Name6-amino-1-methyl-4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]quinolin-2-one
PubChem CID142478286
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name6-amino-1-methyl-4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]quinolin-2-one
SMILESCc1nnc(C(C)Nc2cc(=O)n(C)c3ccc(N)cc23)o1
InChIInChI=1S/C15H17N5O2/c1-8(15-19-18-9(2)22-15)17-12-7-14(21)20(3)13-5-4-10(16)6-11(12)13/h4-8,17H,16H2,1-3H3
InChIKeyKWGNFKWHOAEMLB-UHFFFAOYSA-N
XLogP1.99
TPSA98.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-methyl-4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]quinolin-2-one?
The IUPAC name of 6-amino-1-methyl-4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]quinolin-2-one (CID 142478286) is 6-amino-1-methyl-4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]quinolin-2-one.
What is the SMILES notation for 6-amino-1-methyl-4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]quinolin-2-one?
The canonical SMILES for 6-amino-1-methyl-4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]quinolin-2-one is Cc1nnc(C(C)Nc2cc(=O)n(C)c3ccc(N)cc23)o1.
What is the InChIKey of 6-amino-1-methyl-4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]quinolin-2-one?
The InChIKey is KWGNFKWHOAEMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-8(15-19-18-9(2)22-15)17-12-7-14(21)20(3)13-5-4-10(16)6-11(12)13/h4-8,17H,16H2,1-3H3.
What are the key properties of 6-amino-1-methyl-4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]quinolin-2-one?
6-amino-1-methyl-4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]quinolin-2-one has a molecular weight of 299.33 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-methyl-4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]quinolin-2-one is sourced from PubChem (CID 142478286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).