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

C18H22N2O2 — CID 4625749

IUPAC2-heptyl-5-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one
SMILESCCCCCCCc1nc2c(=O)n(C)c3ccccc3c2o1
InChIInChI=1S/C18H22N2O2/c1-3-4-5-6-7-12-15-19-16-17(22-15)13-10-8-9-11-14(13)20(2)18(16)21/h8-11H,3-7,12H2,1-2H3
InChIKeyZOFAHVCXOGYZNT-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.19
Rot. Bonds6

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

2-heptyl-5-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one (PubChem CID 4625749) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-heptyl-5-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name2-heptyl-5-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one
PubChem CID4625749
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-heptyl-5-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one
SMILESCCCCCCCc1nc2c(=O)n(C)c3ccccc3c2o1
InChIInChI=1S/C18H22N2O2/c1-3-4-5-6-7-12-15-19-16-17(22-15)13-10-8-9-11-14(13)20(2)18(16)21/h8-11H,3-7,12H2,1-2H3
InChIKeyZOFAHVCXOGYZNT-UHFFFAOYSA-N
XLogP4.19
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.19
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 2-heptyl-5-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one?
The IUPAC name of 2-heptyl-5-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one (CID 4625749) is 2-heptyl-5-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 2-heptyl-5-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 2-heptyl-5-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one is CCCCCCCc1nc2c(=O)n(C)c3ccccc3c2o1.
What is the InChIKey of 2-heptyl-5-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one?
The InChIKey is ZOFAHVCXOGYZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-3-4-5-6-7-12-15-19-16-17(22-15)13-10-8-9-11-14(13)20(2)18(16)21/h8-11H,3-7,12H2,1-2H3.
What are the key properties of 2-heptyl-5-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one?
2-heptyl-5-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one has a molecular weight of 298.39 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptyl-5-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 4625749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).