6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]quinoline

C25H26N2S2 — CID 11697412

IUPAC6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]quinoline
SMILESCc1ccc(-c2ccc(-c3ccc4cc(CCN5CCC[C@H]5C)ccc4n3)s2)s1
InChIInChI=1S/C25H26N2S2/c1-17-4-3-14-27(17)15-13-19-6-8-21-20(16-19)7-9-22(26-21)23-11-12-25(29-23)24-10-5-18(2)28-24/h5-12,16-17H,3-4,13-15H2,1-2H3/t17-/m1/s1
InChIKeyNCDVDCYFZPSORZ-QGZVFWFLSA-N
MW418.63 g/mol
LogP7.03
Rot. Bonds5

About 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]quinoline

6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]quinoline (PubChem CID 11697412) has the molecular formula C25H26N2S2 and a molecular weight of 418.63 g/mol. Its IUPAC name is 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]quinoline.

Molecular Properties

Compound Name6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]quinoline
PubChem CID11697412
Molecular FormulaC25H26N2S2
Molecular Weight418.63 g/mol
Exact Mass418.15
IUPAC Name6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]quinoline
SMILESCc1ccc(-c2ccc(-c3ccc4cc(CCN5CCC[C@H]5C)ccc4n3)s2)s1
InChIInChI=1S/C25H26N2S2/c1-17-4-3-14-27(17)15-13-19-6-8-21-20(16-19)7-9-22(26-21)23-11-12-25(29-23)24-10-5-18(2)28-24/h5-12,16-17H,3-4,13-15H2,1-2H3/t17-/m1/s1
InChIKeyNCDVDCYFZPSORZ-QGZVFWFLSA-N
XLogP7.03
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.63
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]quinoline?
The IUPAC name of 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]quinoline (CID 11697412) is 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]quinoline.
What is the SMILES notation for 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]quinoline?
The canonical SMILES for 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]quinoline is Cc1ccc(-c2ccc(-c3ccc4cc(CCN5CCC[C@H]5C)ccc4n3)s2)s1.
What is the InChIKey of 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]quinoline?
The InChIKey is NCDVDCYFZPSORZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H26N2S2/c1-17-4-3-14-27(17)15-13-19-6-8-21-20(16-19)7-9-22(26-21)23-11-12-25(29-23)24-10-5-18(2)28-24/h5-12,16-17H,3-4,13-15H2,1-2H3/t17-/m1/s1.
What are the key properties of 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]quinoline?
6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]quinoline has a molecular weight of 418.63 g/mol, XLogP of 7.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]quinoline is sourced from PubChem (CID 11697412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).