N-methyl-1-[5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine

C15H20N4O — CID 106967087

IUPACN-methyl-1-[5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCNC(C)c1nnc(N2CCCc3cc(C)ccc32)o1
InChIInChI=1S/C15H20N4O/c1-10-6-7-13-12(9-10)5-4-8-19(13)15-18-17-14(20-15)11(2)16-3/h6-7,9,11,16H,4-5,8H2,1-3H3
InChIKeyQQGXTCNINOFXCH-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.74
Rot. Bonds3

About N-methyl-1-[5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine

N-methyl-1-[5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 106967087) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-methyl-1-[5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID106967087
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-methyl-1-[5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCNC(C)c1nnc(N2CCCc3cc(C)ccc32)o1
InChIInChI=1S/C15H20N4O/c1-10-6-7-13-12(9-10)5-4-8-19(13)15-18-17-14(20-15)11(2)16-3/h6-7,9,11,16H,4-5,8H2,1-3H3
InChIKeyQQGXTCNINOFXCH-UHFFFAOYSA-N
XLogP2.74
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of N-methyl-1-[5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 106967087) is N-methyl-1-[5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for N-methyl-1-[5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine is CNC(C)c1nnc(N2CCCc3cc(C)ccc32)o1.
What is the InChIKey of N-methyl-1-[5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is QQGXTCNINOFXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10-6-7-13-12(9-10)5-4-8-19(13)15-18-17-14(20-15)11(2)16-3/h6-7,9,11,16H,4-5,8H2,1-3H3.
What are the key properties of N-methyl-1-[5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
N-methyl-1-[5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 272.35 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 106967087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).