2-methoxy-7-propan-2-ylquinoline

C13H15NO — CID 58290673

IUPAC2-methoxy-7-propan-2-ylquinoline
SMILESCOc1ccc2ccc(C(C)C)cc2n1
InChIInChI=1S/C13H15NO/c1-9(2)11-5-4-10-6-7-13(15-3)14-12(10)8-11/h4-9H,1-3H3
InChIKeyTUSMRFKGWRPKST-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.37
Rot. Bonds2

About 2-methoxy-7-propan-2-ylquinoline

2-methoxy-7-propan-2-ylquinoline (PubChem CID 58290673) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-methoxy-7-propan-2-ylquinoline.

Molecular Properties

Compound Name2-methoxy-7-propan-2-ylquinoline
PubChem CID58290673
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name2-methoxy-7-propan-2-ylquinoline
SMILESCOc1ccc2ccc(C(C)C)cc2n1
InChIInChI=1S/C13H15NO/c1-9(2)11-5-4-10-6-7-13(15-3)14-12(10)8-11/h4-9H,1-3H3
InChIKeyTUSMRFKGWRPKST-UHFFFAOYSA-N
XLogP3.37
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-7-propan-2-ylquinoline?
The IUPAC name of 2-methoxy-7-propan-2-ylquinoline (CID 58290673) is 2-methoxy-7-propan-2-ylquinoline.
What is the SMILES notation for 2-methoxy-7-propan-2-ylquinoline?
The canonical SMILES for 2-methoxy-7-propan-2-ylquinoline is COc1ccc2ccc(C(C)C)cc2n1.
What is the InChIKey of 2-methoxy-7-propan-2-ylquinoline?
The InChIKey is TUSMRFKGWRPKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-9(2)11-5-4-10-6-7-13(15-3)14-12(10)8-11/h4-9H,1-3H3.
What are the key properties of 2-methoxy-7-propan-2-ylquinoline?
2-methoxy-7-propan-2-ylquinoline has a molecular weight of 201.27 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-7-propan-2-ylquinoline is sourced from PubChem (CID 58290673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).