5-(difluoromethoxy)-4-[[(2R)-pyrrolidin-2-yl]methyl]quinoline

C15H16F2N2O — CID 178091356

IUPAC5-(difluoromethoxy)-4-[[(2R)-pyrrolidin-2-yl]methyl]quinoline
SMILESFC(F)Oc1cccc2nccc(C[C@H]3CCCN3)c12
InChIInChI=1S/C15H16F2N2O/c16-15(17)20-13-5-1-4-12-14(13)10(6-8-19-12)9-11-3-2-7-18-11/h1,4-6,8,11,15,18H,2-3,7,9H2/t11-/m1/s1
InChIKeyXQBRHTONVZVQOM-LLVKDONJSA-N
MW278.30 g/mol
LogP3.13
Rot. Bonds4

About 5-(difluoromethoxy)-4-[[(2R)-pyrrolidin-2-yl]methyl]quinoline

5-(difluoromethoxy)-4-[[(2R)-pyrrolidin-2-yl]methyl]quinoline (PubChem CID 178091356) has the molecular formula C15H16F2N2O and a molecular weight of 278.30 g/mol. Its IUPAC name is 5-(difluoromethoxy)-4-[[(2R)-pyrrolidin-2-yl]methyl]quinoline.

Molecular Properties

Compound Name5-(difluoromethoxy)-4-[[(2R)-pyrrolidin-2-yl]methyl]quinoline
PubChem CID178091356
Molecular FormulaC15H16F2N2O
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name5-(difluoromethoxy)-4-[[(2R)-pyrrolidin-2-yl]methyl]quinoline
SMILESFC(F)Oc1cccc2nccc(C[C@H]3CCCN3)c12
InChIInChI=1S/C15H16F2N2O/c16-15(17)20-13-5-1-4-12-14(13)10(6-8-19-12)9-11-3-2-7-18-11/h1,4-6,8,11,15,18H,2-3,7,9H2/t11-/m1/s1
InChIKeyXQBRHTONVZVQOM-LLVKDONJSA-N
XLogP3.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(+)-Primaquine
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(-)-Primaquine
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4-Methoxy-1H-indole
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2-(2-Aminoethyl)-5-methoxyindole
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6-Methoxy-1H-indole
CID 76659
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9-Acridinamine, 1,2,3,4-tetrahydro-N-heptyl-6-methoxy-
CID 3075611

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-4-[[(2R)-pyrrolidin-2-yl]methyl]quinoline?
The IUPAC name of 5-(difluoromethoxy)-4-[[(2R)-pyrrolidin-2-yl]methyl]quinoline (CID 178091356) is 5-(difluoromethoxy)-4-[[(2R)-pyrrolidin-2-yl]methyl]quinoline.
What is the SMILES notation for 5-(difluoromethoxy)-4-[[(2R)-pyrrolidin-2-yl]methyl]quinoline?
The canonical SMILES for 5-(difluoromethoxy)-4-[[(2R)-pyrrolidin-2-yl]methyl]quinoline is FC(F)Oc1cccc2nccc(C[C@H]3CCCN3)c12.
What is the InChIKey of 5-(difluoromethoxy)-4-[[(2R)-pyrrolidin-2-yl]methyl]quinoline?
The InChIKey is XQBRHTONVZVQOM-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16F2N2O/c16-15(17)20-13-5-1-4-12-14(13)10(6-8-19-12)9-11-3-2-7-18-11/h1,4-6,8,11,15,18H,2-3,7,9H2/t11-/m1/s1.
What are the key properties of 5-(difluoromethoxy)-4-[[(2R)-pyrrolidin-2-yl]methyl]quinoline?
5-(difluoromethoxy)-4-[[(2R)-pyrrolidin-2-yl]methyl]quinoline has a molecular weight of 278.30 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-4-[[(2R)-pyrrolidin-2-yl]methyl]quinoline is sourced from PubChem (CID 178091356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).