2-(furan-3-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline

C20H22N2O — CID 25156481

IUPAC2-(furan-3-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
SMILESC[C@@H]1CCCN1CCc1ccc2nc(-c3ccoc3)ccc2c1
InChIInChI=1S/C20H22N2O/c1-15-3-2-10-22(15)11-8-16-4-6-19-17(13-16)5-7-20(21-19)18-9-12-23-14-18/h4-7,9,12-15H,2-3,8,10-11H2,1H3/t15-/m1/s1
InChIKeyZTMMRPYTOJQXRD-OAHLLOKOSA-N
MW306.41 g/mol
LogP4.52
Rot. Bonds4

About 2-(furan-3-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline

2-(furan-3-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline (PubChem CID 25156481) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-(furan-3-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline.

Molecular Properties

Compound Name2-(furan-3-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
PubChem CID25156481
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name2-(furan-3-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
SMILESC[C@@H]1CCCN1CCc1ccc2nc(-c3ccoc3)ccc2c1
InChIInChI=1S/C20H22N2O/c1-15-3-2-10-22(15)11-8-16-4-6-19-17(13-16)5-7-20(21-19)18-9-12-23-14-18/h4-7,9,12-15H,2-3,8,10-11H2,1H3/t15-/m1/s1
InChIKeyZTMMRPYTOJQXRD-OAHLLOKOSA-N
XLogP4.52
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
The IUPAC name of 2-(furan-3-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline (CID 25156481) is 2-(furan-3-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline.
What is the SMILES notation for 2-(furan-3-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
The canonical SMILES for 2-(furan-3-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline is C[C@@H]1CCCN1CCc1ccc2nc(-c3ccoc3)ccc2c1.
What is the InChIKey of 2-(furan-3-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
The InChIKey is ZTMMRPYTOJQXRD-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22N2O/c1-15-3-2-10-22(15)11-8-16-4-6-19-17(13-16)5-7-20(21-19)18-9-12-23-14-18/h4-7,9,12-15H,2-3,8,10-11H2,1H3/t15-/m1/s1.
What are the key properties of 2-(furan-3-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
2-(furan-3-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline has a molecular weight of 306.41 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline is sourced from PubChem (CID 25156481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).