5-methyl-2-pentyl-[1,3]oxazolo[4,5-c]quinolin-4-one

C16H18N2O2 — CID 3237789

IUPAC5-methyl-2-pentyl-[1,3]oxazolo[4,5-c]quinolin-4-one
SMILESCCCCCc1nc2c(=O)n(C)c3ccccc3c2o1
InChIInChI=1S/C16H18N2O2/c1-3-4-5-10-13-17-14-15(20-13)11-8-6-7-9-12(11)18(2)16(14)19/h6-9H,3-5,10H2,1-2H3
InChIKeySFMYXHZHBYETOR-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.41
Rot. Bonds4

About 5-methyl-2-pentyl-[1,3]oxazolo[4,5-c]quinolin-4-one

5-methyl-2-pentyl-[1,3]oxazolo[4,5-c]quinolin-4-one (PubChem CID 3237789) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 5-methyl-2-pentyl-[1,3]oxazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name5-methyl-2-pentyl-[1,3]oxazolo[4,5-c]quinolin-4-one
PubChem CID3237789
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name5-methyl-2-pentyl-[1,3]oxazolo[4,5-c]quinolin-4-one
SMILESCCCCCc1nc2c(=O)n(C)c3ccccc3c2o1
InChIInChI=1S/C16H18N2O2/c1-3-4-5-10-13-17-14-15(20-13)11-8-6-7-9-12(11)18(2)16(14)19/h6-9H,3-5,10H2,1-2H3
InChIKeySFMYXHZHBYETOR-UHFFFAOYSA-N
XLogP3.41
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-pentyl-[1,3]oxazolo[4,5-c]quinolin-4-one?
The IUPAC name of 5-methyl-2-pentyl-[1,3]oxazolo[4,5-c]quinolin-4-one (CID 3237789) is 5-methyl-2-pentyl-[1,3]oxazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 5-methyl-2-pentyl-[1,3]oxazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 5-methyl-2-pentyl-[1,3]oxazolo[4,5-c]quinolin-4-one is CCCCCc1nc2c(=O)n(C)c3ccccc3c2o1.
What is the InChIKey of 5-methyl-2-pentyl-[1,3]oxazolo[4,5-c]quinolin-4-one?
The InChIKey is SFMYXHZHBYETOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-3-4-5-10-13-17-14-15(20-13)11-8-6-7-9-12(11)18(2)16(14)19/h6-9H,3-5,10H2,1-2H3.
What are the key properties of 5-methyl-2-pentyl-[1,3]oxazolo[4,5-c]quinolin-4-one?
5-methyl-2-pentyl-[1,3]oxazolo[4,5-c]quinolin-4-one has a molecular weight of 270.33 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-pentyl-[1,3]oxazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 3237789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).