7-methyl-4-(4-methylpiperazin-1-yl)-[1,2]oxazolo[3,4-c]quinoline

C16H18N4O — CID 58475565

IUPAC7-methyl-4-(4-methylpiperazin-1-yl)-[1,2]oxazolo[3,4-c]quinoline
SMILESCc1ccc2c(c1)nc(N1CCN(C)CC1)c1nocc12
InChIInChI=1S/C16H18N4O/c1-11-3-4-12-13-10-21-18-15(13)16(17-14(12)9-11)20-7-5-19(2)6-8-20/h3-4,9-10H,5-8H2,1-2H3
InChIKeyOEPXJVWCBWKHNA-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.44
Rot. Bonds1

About 7-methyl-4-(4-methylpiperazin-1-yl)-[1,2]oxazolo[3,4-c]quinoline

7-methyl-4-(4-methylpiperazin-1-yl)-[1,2]oxazolo[3,4-c]quinoline (PubChem CID 58475565) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 7-methyl-4-(4-methylpiperazin-1-yl)-[1,2]oxazolo[3,4-c]quinoline.

Molecular Properties

Compound Name7-methyl-4-(4-methylpiperazin-1-yl)-[1,2]oxazolo[3,4-c]quinoline
PubChem CID58475565
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name7-methyl-4-(4-methylpiperazin-1-yl)-[1,2]oxazolo[3,4-c]quinoline
SMILESCc1ccc2c(c1)nc(N1CCN(C)CC1)c1nocc12
InChIInChI=1S/C16H18N4O/c1-11-3-4-12-13-10-21-18-15(13)16(17-14(12)9-11)20-7-5-19(2)6-8-20/h3-4,9-10H,5-8H2,1-2H3
InChIKeyOEPXJVWCBWKHNA-UHFFFAOYSA-N
XLogP2.44
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-(4-methylpiperazin-1-yl)-[1,2]oxazolo[3,4-c]quinoline?
The IUPAC name of 7-methyl-4-(4-methylpiperazin-1-yl)-[1,2]oxazolo[3,4-c]quinoline (CID 58475565) is 7-methyl-4-(4-methylpiperazin-1-yl)-[1,2]oxazolo[3,4-c]quinoline.
What is the SMILES notation for 7-methyl-4-(4-methylpiperazin-1-yl)-[1,2]oxazolo[3,4-c]quinoline?
The canonical SMILES for 7-methyl-4-(4-methylpiperazin-1-yl)-[1,2]oxazolo[3,4-c]quinoline is Cc1ccc2c(c1)nc(N1CCN(C)CC1)c1nocc12.
What is the InChIKey of 7-methyl-4-(4-methylpiperazin-1-yl)-[1,2]oxazolo[3,4-c]quinoline?
The InChIKey is OEPXJVWCBWKHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-11-3-4-12-13-10-21-18-15(13)16(17-14(12)9-11)20-7-5-19(2)6-8-20/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 7-methyl-4-(4-methylpiperazin-1-yl)-[1,2]oxazolo[3,4-c]quinoline?
7-methyl-4-(4-methylpiperazin-1-yl)-[1,2]oxazolo[3,4-c]quinoline has a molecular weight of 282.35 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-(4-methylpiperazin-1-yl)-[1,2]oxazolo[3,4-c]quinoline is sourced from PubChem (CID 58475565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).