2-hexyl-5H-[1,3]oxazolo[4,5-c]quinolin-4-one

C16H18N2O2 — CID 653147

IUPAC2-hexyl-5H-[1,3]oxazolo[4,5-c]quinolin-4-one
SMILESCCCCCCc1nc2c(=O)[nH]c3ccccc3c2o1
InChIInChI=1S/C16H18N2O2/c1-2-3-4-5-10-13-18-14-15(20-13)11-8-6-7-9-12(11)17-16(14)19/h6-9H,2-5,10H2,1H3,(H,17,19)
InChIKeyWTFWDDIIURWLMW-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.79
Rot. Bonds5

About 2-hexyl-5H-[1,3]oxazolo[4,5-c]quinolin-4-one

2-hexyl-5H-[1,3]oxazolo[4,5-c]quinolin-4-one (PubChem CID 653147) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-hexyl-5H-[1,3]oxazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name2-hexyl-5H-[1,3]oxazolo[4,5-c]quinolin-4-one
PubChem CID653147
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-hexyl-5H-[1,3]oxazolo[4,5-c]quinolin-4-one
SMILESCCCCCCc1nc2c(=O)[nH]c3ccccc3c2o1
InChIInChI=1S/C16H18N2O2/c1-2-3-4-5-10-13-18-14-15(20-13)11-8-6-7-9-12(11)17-16(14)19/h6-9H,2-5,10H2,1H3,(H,17,19)
InChIKeyWTFWDDIIURWLMW-UHFFFAOYSA-N
XLogP3.79
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-hexyl-5H-[1,3]oxazolo[4,5-c]quinolin-4-one?
The IUPAC name of 2-hexyl-5H-[1,3]oxazolo[4,5-c]quinolin-4-one (CID 653147) is 2-hexyl-5H-[1,3]oxazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 2-hexyl-5H-[1,3]oxazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 2-hexyl-5H-[1,3]oxazolo[4,5-c]quinolin-4-one is CCCCCCc1nc2c(=O)[nH]c3ccccc3c2o1.
What is the InChIKey of 2-hexyl-5H-[1,3]oxazolo[4,5-c]quinolin-4-one?
The InChIKey is WTFWDDIIURWLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-3-4-5-10-13-18-14-15(20-13)11-8-6-7-9-12(11)17-16(14)19/h6-9H,2-5,10H2,1H3,(H,17,19).
What are the key properties of 2-hexyl-5H-[1,3]oxazolo[4,5-c]quinolin-4-one?
2-hexyl-5H-[1,3]oxazolo[4,5-c]quinolin-4-one has a molecular weight of 270.33 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-5H-[1,3]oxazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 653147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).