N'-[3-[5-(3-aminopyrazin-2-yl)-1,3,4-oxadiazol-2-yl]-8-methylquinolin-2-yl]-N,N'-dimethylethane-1,2-diamine

C20H22N8O — CID 66802308

IUPACN'-[3-[5-(3-aminopyrazin-2-yl)-1,3,4-oxadiazol-2-yl]-8-methylquinolin-2-yl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)c1nc2c(C)cccc2cc1-c1nnc(-c2nccnc2N)o1
InChIInChI=1S/C20H22N8O/c1-12-5-4-6-13-11-14(18(25-15(12)13)28(3)10-9-22-2)19-26-27-20(29-19)16-17(21)24-8-7-23-16/h4-8,11,22H,9-10H2,1-3H3,(H2,21,24)
InChIKeyCHYHXYUNUQUWQC-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.29
Rot. Bonds6

About N'-[3-[5-(3-aminopyrazin-2-yl)-1,3,4-oxadiazol-2-yl]-8-methylquinolin-2-yl]-N,N'-dimethylethane-1,2-diamine

N'-[3-[5-(3-aminopyrazin-2-yl)-1,3,4-oxadiazol-2-yl]-8-methylquinolin-2-yl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 66802308) has the molecular formula C20H22N8O and a molecular weight of 390.45 g/mol. Its IUPAC name is N'-[3-[5-(3-aminopyrazin-2-yl)-1,3,4-oxadiazol-2-yl]-8-methylquinolin-2-yl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-[5-(3-aminopyrazin-2-yl)-1,3,4-oxadiazol-2-yl]-8-methylquinolin-2-yl]-N,N'-dimethylethane-1,2-diamine
PubChem CID66802308
Molecular FormulaC20H22N8O
Molecular Weight390.45 g/mol
Exact Mass390.19
IUPAC NameN'-[3-[5-(3-aminopyrazin-2-yl)-1,3,4-oxadiazol-2-yl]-8-methylquinolin-2-yl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)c1nc2c(C)cccc2cc1-c1nnc(-c2nccnc2N)o1
InChIInChI=1S/C20H22N8O/c1-12-5-4-6-13-11-14(18(25-15(12)13)28(3)10-9-22-2)19-26-27-20(29-19)16-17(21)24-8-7-23-16/h4-8,11,22H,9-10H2,1-3H3,(H2,21,24)
InChIKeyCHYHXYUNUQUWQC-UHFFFAOYSA-N
XLogP2.29
TPSA118.88 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N'-[3-[5-(3-aminopyrazin-2-yl)-1,3,4-oxadiazol-2-yl]-8-methylquinolin-2-yl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[3-[5-(3-aminopyrazin-2-yl)-1,3,4-oxadiazol-2-yl]-8-methylquinolin-2-yl]-N,N'-dimethylethane-1,2-diamine (CID 66802308) is N'-[3-[5-(3-aminopyrazin-2-yl)-1,3,4-oxadiazol-2-yl]-8-methylquinolin-2-yl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[3-[5-(3-aminopyrazin-2-yl)-1,3,4-oxadiazol-2-yl]-8-methylquinolin-2-yl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[3-[5-(3-aminopyrazin-2-yl)-1,3,4-oxadiazol-2-yl]-8-methylquinolin-2-yl]-N,N'-dimethylethane-1,2-diamine is CNCCN(C)c1nc2c(C)cccc2cc1-c1nnc(-c2nccnc2N)o1.
What is the InChIKey of N'-[3-[5-(3-aminopyrazin-2-yl)-1,3,4-oxadiazol-2-yl]-8-methylquinolin-2-yl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is CHYHXYUNUQUWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O/c1-12-5-4-6-13-11-14(18(25-15(12)13)28(3)10-9-22-2)19-26-27-20(29-19)16-17(21)24-8-7-23-16/h4-8,11,22H,9-10H2,1-3H3,(H2,21,24).
What are the key properties of N'-[3-[5-(3-aminopyrazin-2-yl)-1,3,4-oxadiazol-2-yl]-8-methylquinolin-2-yl]-N,N'-dimethylethane-1,2-diamine?
N'-[3-[5-(3-aminopyrazin-2-yl)-1,3,4-oxadiazol-2-yl]-8-methylquinolin-2-yl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 390.45 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[5-(3-aminopyrazin-2-yl)-1,3,4-oxadiazol-2-yl]-8-methylquinolin-2-yl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 66802308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).