4-(1-methoxypropan-2-yl)quinoline

C13H15NO — CID 100926212

IUPAC4-(1-methoxypropan-2-yl)quinoline
SMILESCOCC(C)c1ccnc2ccccc12
InChIInChI=1S/C13H15NO/c1-10(9-15-2)11-7-8-14-13-6-4-3-5-12(11)13/h3-8,10H,9H2,1-2H3
InChIKeyNMAUZDHBFBAYCZ-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.98
Rot. Bonds3

About 4-(1-methoxypropan-2-yl)quinoline

4-(1-methoxypropan-2-yl)quinoline (PubChem CID 100926212) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-(1-methoxypropan-2-yl)quinoline.

Molecular Properties

Compound Name4-(1-methoxypropan-2-yl)quinoline
PubChem CID100926212
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name4-(1-methoxypropan-2-yl)quinoline
SMILESCOCC(C)c1ccnc2ccccc12
InChIInChI=1S/C13H15NO/c1-10(9-15-2)11-7-8-14-13-6-4-3-5-12(11)13/h3-8,10H,9H2,1-2H3
InChIKeyNMAUZDHBFBAYCZ-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxypropan-2-yl)quinoline?
The IUPAC name of 4-(1-methoxypropan-2-yl)quinoline (CID 100926212) is 4-(1-methoxypropan-2-yl)quinoline.
What is the SMILES notation for 4-(1-methoxypropan-2-yl)quinoline?
The canonical SMILES for 4-(1-methoxypropan-2-yl)quinoline is COCC(C)c1ccnc2ccccc12.
What is the InChIKey of 4-(1-methoxypropan-2-yl)quinoline?
The InChIKey is NMAUZDHBFBAYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-10(9-15-2)11-7-8-14-13-6-4-3-5-12(11)13/h3-8,10H,9H2,1-2H3.
What are the key properties of 4-(1-methoxypropan-2-yl)quinoline?
4-(1-methoxypropan-2-yl)quinoline has a molecular weight of 201.27 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxypropan-2-yl)quinoline is sourced from PubChem (CID 100926212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).