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

C18H22N4O2 — CID 56710076

IUPAC3-[[ethyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-2-one
SMILESCCc1noc(CN(CC)Cc2cc3cc(C)ccc3[nH]c2=O)n1
InChIInChI=1S/C18H22N4O2/c1-4-16-20-17(24-21-16)11-22(5-2)10-14-9-13-8-12(3)6-7-15(13)19-18(14)23/h6-9H,4-5,10-11H2,1-3H3,(H,19,23)
InChIKeyVLJYUBFDPVJSMP-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.80
Rot. Bonds6

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

3-[[ethyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-2-one (PubChem CID 56710076) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-[[ethyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[ethyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-2-one
PubChem CID56710076
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name3-[[ethyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-2-one
SMILESCCc1noc(CN(CC)Cc2cc3cc(C)ccc3[nH]c2=O)n1
InChIInChI=1S/C18H22N4O2/c1-4-16-20-17(24-21-16)11-22(5-2)10-14-9-13-8-12(3)6-7-15(13)19-18(14)23/h6-9H,4-5,10-11H2,1-3H3,(H,19,23)
InChIKeyVLJYUBFDPVJSMP-UHFFFAOYSA-N
XLogP2.80
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[[ethyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-2-one (CID 56710076) is 3-[[ethyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[ethyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[ethyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-2-one is CCc1noc(CN(CC)Cc2cc3cc(C)ccc3[nH]c2=O)n1.
What is the InChIKey of 3-[[ethyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-2-one?
The InChIKey is VLJYUBFDPVJSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-4-16-20-17(24-21-16)11-22(5-2)10-14-9-13-8-12(3)6-7-15(13)19-18(14)23/h6-9H,4-5,10-11H2,1-3H3,(H,19,23).
What are the key properties of 3-[[ethyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-2-one?
3-[[ethyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-2-one has a molecular weight of 326.40 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-2-one is sourced from PubChem (CID 56710076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).