N,N-dimethyl-1-[5-(quinolin-8-ylmethyl)-1,3,4-oxadiazol-2-yl]methanamine

C15H16N4O — CID 154796276

IUPACN,N-dimethyl-1-[5-(quinolin-8-ylmethyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCN(C)Cc1nnc(Cc2cccc3cccnc23)o1
InChIInChI=1S/C15H16N4O/c1-19(2)10-14-18-17-13(20-14)9-12-6-3-5-11-7-4-8-16-15(11)12/h3-8H,9-10H2,1-2H3
InChIKeyJYXWQQCYWLBXDS-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.27
Rot. Bonds4

About N,N-dimethyl-1-[5-(quinolin-8-ylmethyl)-1,3,4-oxadiazol-2-yl]methanamine

N,N-dimethyl-1-[5-(quinolin-8-ylmethyl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 154796276) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-(quinolin-8-ylmethyl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-(quinolin-8-ylmethyl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID154796276
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN,N-dimethyl-1-[5-(quinolin-8-ylmethyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCN(C)Cc1nnc(Cc2cccc3cccnc23)o1
InChIInChI=1S/C15H16N4O/c1-19(2)10-14-18-17-13(20-14)9-12-6-3-5-11-7-4-8-16-15(11)12/h3-8H,9-10H2,1-2H3
InChIKeyJYXWQQCYWLBXDS-UHFFFAOYSA-N
XLogP2.27
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-(quinolin-8-ylmethyl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[5-(quinolin-8-ylmethyl)-1,3,4-oxadiazol-2-yl]methanamine (CID 154796276) is N,N-dimethyl-1-[5-(quinolin-8-ylmethyl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[5-(quinolin-8-ylmethyl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[5-(quinolin-8-ylmethyl)-1,3,4-oxadiazol-2-yl]methanamine is CN(C)Cc1nnc(Cc2cccc3cccnc23)o1.
What is the InChIKey of N,N-dimethyl-1-[5-(quinolin-8-ylmethyl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is JYXWQQCYWLBXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-19(2)10-14-18-17-13(20-14)9-12-6-3-5-11-7-4-8-16-15(11)12/h3-8H,9-10H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[5-(quinolin-8-ylmethyl)-1,3,4-oxadiazol-2-yl]methanamine?
N,N-dimethyl-1-[5-(quinolin-8-ylmethyl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 268.32 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-(quinolin-8-ylmethyl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 154796276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).