3-methyl-5-[4-methyl-6-(4-methylpiperazin-1-yl)quinolin-2-yl]-1,2-oxazole

C19H22N4O — CID 169416921

IUPAC3-methyl-5-[4-methyl-6-(4-methylpiperazin-1-yl)quinolin-2-yl]-1,2-oxazole
SMILESCc1cc(-c2cc(C)c3cc(N4CCN(C)CC4)ccc3n2)on1
InChIInChI=1S/C19H22N4O/c1-13-10-18(19-11-14(2)21-24-19)20-17-5-4-15(12-16(13)17)23-8-6-22(3)7-9-23/h4-5,10-12H,6-9H2,1-3H3
InChIKeyXNBRMAPQDVXQRR-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.26
Rot. Bonds2

About 3-methyl-5-[4-methyl-6-(4-methylpiperazin-1-yl)quinolin-2-yl]-1,2-oxazole

3-methyl-5-[4-methyl-6-(4-methylpiperazin-1-yl)quinolin-2-yl]-1,2-oxazole (PubChem CID 169416921) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-methyl-5-[4-methyl-6-(4-methylpiperazin-1-yl)quinolin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[4-methyl-6-(4-methylpiperazin-1-yl)quinolin-2-yl]-1,2-oxazole
PubChem CID169416921
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name3-methyl-5-[4-methyl-6-(4-methylpiperazin-1-yl)quinolin-2-yl]-1,2-oxazole
SMILESCc1cc(-c2cc(C)c3cc(N4CCN(C)CC4)ccc3n2)on1
InChIInChI=1S/C19H22N4O/c1-13-10-18(19-11-14(2)21-24-19)20-17-5-4-15(12-16(13)17)23-8-6-22(3)7-9-23/h4-5,10-12H,6-9H2,1-3H3
InChIKeyXNBRMAPQDVXQRR-UHFFFAOYSA-N
XLogP3.26
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[4-methyl-6-(4-methylpiperazin-1-yl)quinolin-2-yl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[4-methyl-6-(4-methylpiperazin-1-yl)quinolin-2-yl]-1,2-oxazole (CID 169416921) is 3-methyl-5-[4-methyl-6-(4-methylpiperazin-1-yl)quinolin-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[4-methyl-6-(4-methylpiperazin-1-yl)quinolin-2-yl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[4-methyl-6-(4-methylpiperazin-1-yl)quinolin-2-yl]-1,2-oxazole is Cc1cc(-c2cc(C)c3cc(N4CCN(C)CC4)ccc3n2)on1.
What is the InChIKey of 3-methyl-5-[4-methyl-6-(4-methylpiperazin-1-yl)quinolin-2-yl]-1,2-oxazole?
The InChIKey is XNBRMAPQDVXQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-13-10-18(19-11-14(2)21-24-19)20-17-5-4-15(12-16(13)17)23-8-6-22(3)7-9-23/h4-5,10-12H,6-9H2,1-3H3.
What are the key properties of 3-methyl-5-[4-methyl-6-(4-methylpiperazin-1-yl)quinolin-2-yl]-1,2-oxazole?
3-methyl-5-[4-methyl-6-(4-methylpiperazin-1-yl)quinolin-2-yl]-1,2-oxazole has a molecular weight of 322.41 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[4-methyl-6-(4-methylpiperazin-1-yl)quinolin-2-yl]-1,2-oxazole is sourced from PubChem (CID 169416921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).