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

C22H22N6O2 — CID 166214271

IUPAC6-methyl-2-[3-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-4-one
SMILESCc1ccc2[nH]c(-c3nc(-c4cccc(N5CCN(C)CC5)n4)no3)cc(=O)c2c1
InChIInChI=1S/C22H22N6O2/c1-14-6-7-16-15(12-14)19(29)13-18(23-16)22-25-21(26-30-22)17-4-3-5-20(24-17)28-10-8-27(2)9-11-28/h3-7,12-13H,8-11H2,1-2H3,(H,23,29)
InChIKeyOEZHHBNLMCLERH-UHFFFAOYSA-N
MW402.46 g/mol
LogP2.70
Rot. Bonds3

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

6-methyl-2-[3-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-4-one (PubChem CID 166214271) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 6-methyl-2-[3-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-4-one.

Molecular Properties

Compound Name6-methyl-2-[3-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-4-one
PubChem CID166214271
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name6-methyl-2-[3-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-4-one
SMILESCc1ccc2[nH]c(-c3nc(-c4cccc(N5CCN(C)CC5)n4)no3)cc(=O)c2c1
InChIInChI=1S/C22H22N6O2/c1-14-6-7-16-15(12-14)19(29)13-18(23-16)22-25-21(26-30-22)17-4-3-5-20(24-17)28-10-8-27(2)9-11-28/h3-7,12-13H,8-11H2,1-2H3,(H,23,29)
InChIKeyOEZHHBNLMCLERH-UHFFFAOYSA-N
XLogP2.70
TPSA91.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[3-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-4-one?
The IUPAC name of 6-methyl-2-[3-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-4-one (CID 166214271) is 6-methyl-2-[3-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-4-one.
What is the SMILES notation for 6-methyl-2-[3-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-4-one?
The canonical SMILES for 6-methyl-2-[3-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-4-one is Cc1ccc2[nH]c(-c3nc(-c4cccc(N5CCN(C)CC5)n4)no3)cc(=O)c2c1.
What is the InChIKey of 6-methyl-2-[3-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-4-one?
The InChIKey is OEZHHBNLMCLERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-14-6-7-16-15(12-14)19(29)13-18(23-16)22-25-21(26-30-22)17-4-3-5-20(24-17)28-10-8-27(2)9-11-28/h3-7,12-13H,8-11H2,1-2H3,(H,23,29).
What are the key properties of 6-methyl-2-[3-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-4-one?
6-methyl-2-[3-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-4-one has a molecular weight of 402.46 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[3-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-4-one is sourced from PubChem (CID 166214271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).