3-methyl-7-propoxyquinoline

C13H15NO — CID 68611316

IUPAC3-methyl-7-propoxyquinoline
SMILESCCCOc1ccc2cc(C)cnc2c1
InChIInChI=1S/C13H15NO/c1-3-6-15-12-5-4-11-7-10(2)9-14-13(11)8-12/h4-5,7-9H,3,6H2,1-2H3
InChIKeyYDNJMJXUAQCZFO-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.33
Rot. Bonds3

About 3-methyl-7-propoxyquinoline

3-methyl-7-propoxyquinoline (PubChem CID 68611316) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-methyl-7-propoxyquinoline.

Molecular Properties

Compound Name3-methyl-7-propoxyquinoline
PubChem CID68611316
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name3-methyl-7-propoxyquinoline
SMILESCCCOc1ccc2cc(C)cnc2c1
InChIInChI=1S/C13H15NO/c1-3-6-15-12-5-4-11-7-10(2)9-14-13(11)8-12/h4-5,7-9H,3,6H2,1-2H3
InChIKeyYDNJMJXUAQCZFO-UHFFFAOYSA-N
XLogP3.33
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-propoxyquinoline?
The IUPAC name of 3-methyl-7-propoxyquinoline (CID 68611316) is 3-methyl-7-propoxyquinoline.
What is the SMILES notation for 3-methyl-7-propoxyquinoline?
The canonical SMILES for 3-methyl-7-propoxyquinoline is CCCOc1ccc2cc(C)cnc2c1.
What is the InChIKey of 3-methyl-7-propoxyquinoline?
The InChIKey is YDNJMJXUAQCZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-3-6-15-12-5-4-11-7-10(2)9-14-13(11)8-12/h4-5,7-9H,3,6H2,1-2H3.
What are the key properties of 3-methyl-7-propoxyquinoline?
3-methyl-7-propoxyquinoline has a molecular weight of 201.27 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-propoxyquinoline is sourced from PubChem (CID 68611316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).