8-cyclopropyloxy-3,6-dimethylquinoline;formic acid

C15H17NO3 — CID 156896216

IUPAC8-cyclopropyloxy-3,6-dimethylquinoline;formic acid
SMILESCc1cnc2c(OC3CC3)cc(C)cc2c1.O=CO
InChIInChI=1S/C14H15NO.CH2O2/c1-9-5-11-6-10(2)8-15-14(11)13(7-9)16-12-3-4-12;2-1-3/h5-8,12H,3-4H2,1-2H3;1H,(H,2,3)
InChIKeyHMOHMVUCHAEICM-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.09
Rot. Bonds2

About 8-cyclopropyloxy-3,6-dimethylquinoline;formic acid

8-cyclopropyloxy-3,6-dimethylquinoline;formic acid (PubChem CID 156896216) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 8-cyclopropyloxy-3,6-dimethylquinoline;formic acid.

Molecular Properties

Compound Name8-cyclopropyloxy-3,6-dimethylquinoline;formic acid
PubChem CID156896216
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name8-cyclopropyloxy-3,6-dimethylquinoline;formic acid
SMILESCc1cnc2c(OC3CC3)cc(C)cc2c1.O=CO
InChIInChI=1S/C14H15NO.CH2O2/c1-9-5-11-6-10(2)8-15-14(11)13(7-9)16-12-3-4-12;2-1-3/h5-8,12H,3-4H2,1-2H3;1H,(H,2,3)
InChIKeyHMOHMVUCHAEICM-UHFFFAOYSA-N
XLogP3.09
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyloxy-3,6-dimethylquinoline;formic acid?
The IUPAC name of 8-cyclopropyloxy-3,6-dimethylquinoline;formic acid (CID 156896216) is 8-cyclopropyloxy-3,6-dimethylquinoline;formic acid.
What is the SMILES notation for 8-cyclopropyloxy-3,6-dimethylquinoline;formic acid?
The canonical SMILES for 8-cyclopropyloxy-3,6-dimethylquinoline;formic acid is Cc1cnc2c(OC3CC3)cc(C)cc2c1.O=CO.
What is the InChIKey of 8-cyclopropyloxy-3,6-dimethylquinoline;formic acid?
The InChIKey is HMOHMVUCHAEICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO.CH2O2/c1-9-5-11-6-10(2)8-15-14(11)13(7-9)16-12-3-4-12;2-1-3/h5-8,12H,3-4H2,1-2H3;1H,(H,2,3).
What are the key properties of 8-cyclopropyloxy-3,6-dimethylquinoline;formic acid?
8-cyclopropyloxy-3,6-dimethylquinoline;formic acid has a molecular weight of 259.31 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyloxy-3,6-dimethylquinoline;formic acid is sourced from PubChem (CID 156896216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).