5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]thiophene-2-carbonitrile

C21H21N3S — CID 10089061

IUPAC5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]thiophene-2-carbonitrile
SMILESC[C@@H]1CCCN1CCc1ccc2nc(-c3ccc(C#N)s3)ccc2c1
InChIInChI=1S/C21H21N3S/c1-15-3-2-11-24(15)12-10-16-4-7-19-17(13-16)5-8-20(23-19)21-9-6-18(14-22)25-21/h4-9,13,15H,2-3,10-12H2,1H3/t15-/m1/s1
InChIKeyMHAQFNSWCQLYOT-OAHLLOKOSA-N
MW347.49 g/mol
LogP4.86
Rot. Bonds4

About 5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]thiophene-2-carbonitrile

5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]thiophene-2-carbonitrile (PubChem CID 10089061) has the molecular formula C21H21N3S and a molecular weight of 347.49 g/mol. Its IUPAC name is 5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]thiophene-2-carbonitrile
PubChem CID10089061
Molecular FormulaC21H21N3S
Molecular Weight347.49 g/mol
Exact Mass347.15
IUPAC Name5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]thiophene-2-carbonitrile
SMILESC[C@@H]1CCCN1CCc1ccc2nc(-c3ccc(C#N)s3)ccc2c1
InChIInChI=1S/C21H21N3S/c1-15-3-2-11-24(15)12-10-16-4-7-19-17(13-16)5-8-20(23-19)21-9-6-18(14-22)25-21/h4-9,13,15H,2-3,10-12H2,1H3/t15-/m1/s1
InChIKeyMHAQFNSWCQLYOT-OAHLLOKOSA-N
XLogP4.86
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]thiophene-2-carbonitrile?
The IUPAC name of 5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]thiophene-2-carbonitrile (CID 10089061) is 5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]thiophene-2-carbonitrile is C[C@@H]1CCCN1CCc1ccc2nc(-c3ccc(C#N)s3)ccc2c1.
What is the InChIKey of 5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]thiophene-2-carbonitrile?
The InChIKey is MHAQFNSWCQLYOT-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H21N3S/c1-15-3-2-11-24(15)12-10-16-4-7-19-17(13-16)5-8-20(23-19)21-9-6-18(14-22)25-21/h4-9,13,15H,2-3,10-12H2,1H3/t15-/m1/s1.
What are the key properties of 5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]thiophene-2-carbonitrile?
5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]thiophene-2-carbonitrile has a molecular weight of 347.49 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]thiophene-2-carbonitrile is sourced from PubChem (CID 10089061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).