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

C14H16N4O2 — CID 72914980

IUPAC1-methyl-4-[[(5-methyl-1,3,4-oxadiazol-2-yl)amino]methyl]-3,4-dihydroquinolin-2-one
SMILESCc1nnc(NCC2CC(=O)N(C)c3ccccc32)o1
InChIInChI=1S/C14H16N4O2/c1-9-16-17-14(20-9)15-8-10-7-13(19)18(2)12-6-4-3-5-11(10)12/h3-6,10H,7-8H2,1-2H3,(H,15,17)
InChIKeyTVEGVJVTDPSBAZ-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.94
Rot. Bonds3

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

1-methyl-4-[[(5-methyl-1,3,4-oxadiazol-2-yl)amino]methyl]-3,4-dihydroquinolin-2-one (PubChem CID 72914980) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-methyl-4-[[(5-methyl-1,3,4-oxadiazol-2-yl)amino]methyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-4-[[(5-methyl-1,3,4-oxadiazol-2-yl)amino]methyl]-3,4-dihydroquinolin-2-one
PubChem CID72914980
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name1-methyl-4-[[(5-methyl-1,3,4-oxadiazol-2-yl)amino]methyl]-3,4-dihydroquinolin-2-one
SMILESCc1nnc(NCC2CC(=O)N(C)c3ccccc32)o1
InChIInChI=1S/C14H16N4O2/c1-9-16-17-14(20-9)15-8-10-7-13(19)18(2)12-6-4-3-5-11(10)12/h3-6,10H,7-8H2,1-2H3,(H,15,17)
InChIKeyTVEGVJVTDPSBAZ-UHFFFAOYSA-N
XLogP1.94
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[(5-methyl-1,3,4-oxadiazol-2-yl)amino]methyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-4-[[(5-methyl-1,3,4-oxadiazol-2-yl)amino]methyl]-3,4-dihydroquinolin-2-one (CID 72914980) is 1-methyl-4-[[(5-methyl-1,3,4-oxadiazol-2-yl)amino]methyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-4-[[(5-methyl-1,3,4-oxadiazol-2-yl)amino]methyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-4-[[(5-methyl-1,3,4-oxadiazol-2-yl)amino]methyl]-3,4-dihydroquinolin-2-one is Cc1nnc(NCC2CC(=O)N(C)c3ccccc32)o1.
What is the InChIKey of 1-methyl-4-[[(5-methyl-1,3,4-oxadiazol-2-yl)amino]methyl]-3,4-dihydroquinolin-2-one?
The InChIKey is TVEGVJVTDPSBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-9-16-17-14(20-9)15-8-10-7-13(19)18(2)12-6-4-3-5-11(10)12/h3-6,10H,7-8H2,1-2H3,(H,15,17).
What are the key properties of 1-methyl-4-[[(5-methyl-1,3,4-oxadiazol-2-yl)amino]methyl]-3,4-dihydroquinolin-2-one?
1-methyl-4-[[(5-methyl-1,3,4-oxadiazol-2-yl)amino]methyl]-3,4-dihydroquinolin-2-one has a molecular weight of 272.31 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[(5-methyl-1,3,4-oxadiazol-2-yl)amino]methyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 72914980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).