2,8-dimethyl-4-piperazin-1-yl-[1,3]oxazolo[4,5-c]quinoline

C16H18N4O — CID 58475579

IUPAC2,8-dimethyl-4-piperazin-1-yl-[1,3]oxazolo[4,5-c]quinoline
SMILESCc1ccc2nc(N3CCNCC3)c3nc(C)oc3c2c1
InChIInChI=1S/C16H18N4O/c1-10-3-4-13-12(9-10)15-14(18-11(2)21-15)16(19-13)20-7-5-17-6-8-20/h3-4,9,17H,5-8H2,1-2H3
InChIKeyGFIVKWWLJOCZMT-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.40
Rot. Bonds1

About 2,8-dimethyl-4-piperazin-1-yl-[1,3]oxazolo[4,5-c]quinoline

2,8-dimethyl-4-piperazin-1-yl-[1,3]oxazolo[4,5-c]quinoline (PubChem CID 58475579) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2,8-dimethyl-4-piperazin-1-yl-[1,3]oxazolo[4,5-c]quinoline.

Molecular Properties

Compound Name2,8-dimethyl-4-piperazin-1-yl-[1,3]oxazolo[4,5-c]quinoline
PubChem CID58475579
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2,8-dimethyl-4-piperazin-1-yl-[1,3]oxazolo[4,5-c]quinoline
SMILESCc1ccc2nc(N3CCNCC3)c3nc(C)oc3c2c1
InChIInChI=1S/C16H18N4O/c1-10-3-4-13-12(9-10)15-14(18-11(2)21-15)16(19-13)20-7-5-17-6-8-20/h3-4,9,17H,5-8H2,1-2H3
InChIKeyGFIVKWWLJOCZMT-UHFFFAOYSA-N
XLogP2.40
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-4-piperazin-1-yl-[1,3]oxazolo[4,5-c]quinoline?
The IUPAC name of 2,8-dimethyl-4-piperazin-1-yl-[1,3]oxazolo[4,5-c]quinoline (CID 58475579) is 2,8-dimethyl-4-piperazin-1-yl-[1,3]oxazolo[4,5-c]quinoline.
What is the SMILES notation for 2,8-dimethyl-4-piperazin-1-yl-[1,3]oxazolo[4,5-c]quinoline?
The canonical SMILES for 2,8-dimethyl-4-piperazin-1-yl-[1,3]oxazolo[4,5-c]quinoline is Cc1ccc2nc(N3CCNCC3)c3nc(C)oc3c2c1.
What is the InChIKey of 2,8-dimethyl-4-piperazin-1-yl-[1,3]oxazolo[4,5-c]quinoline?
The InChIKey is GFIVKWWLJOCZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-10-3-4-13-12(9-10)15-14(18-11(2)21-15)16(19-13)20-7-5-17-6-8-20/h3-4,9,17H,5-8H2,1-2H3.
What are the key properties of 2,8-dimethyl-4-piperazin-1-yl-[1,3]oxazolo[4,5-c]quinoline?
2,8-dimethyl-4-piperazin-1-yl-[1,3]oxazolo[4,5-c]quinoline has a molecular weight of 282.35 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-4-piperazin-1-yl-[1,3]oxazolo[4,5-c]quinoline is sourced from PubChem (CID 58475579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).