1'-(quinolin-2-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

C21H22N2OS — CID 70687251

IUPAC1'-(quinolin-2-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESc1ccc2nc(CN3CCC4(CC3)OCCc3sccc34)ccc2c1
InChIInChI=1S/C21H22N2OS/c1-2-4-19-16(3-1)5-6-17(22-19)15-23-11-9-21(10-12-23)18-8-14-25-20(18)7-13-24-21/h1-6,8,14H,7,9-13,15H2
InChIKeyQJXPHXNSAVSMQT-UHFFFAOYSA-N
MW350.49 g/mol
LogP4.36
Rot. Bonds2

About 1'-(quinolin-2-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

1'-(quinolin-2-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (PubChem CID 70687251) has the molecular formula C21H22N2OS and a molecular weight of 350.49 g/mol. Its IUPAC name is 1'-(quinolin-2-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].

Molecular Properties

Compound Name1'-(quinolin-2-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
PubChem CID70687251
Molecular FormulaC21H22N2OS
Molecular Weight350.49 g/mol
Exact Mass350.15
IUPAC Name1'-(quinolin-2-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESc1ccc2nc(CN3CCC4(CC3)OCCc3sccc34)ccc2c1
InChIInChI=1S/C21H22N2OS/c1-2-4-19-16(3-1)5-6-17(22-19)15-23-11-9-21(10-12-23)18-8-14-25-20(18)7-13-24-21/h1-6,8,14H,7,9-13,15H2
InChIKeyQJXPHXNSAVSMQT-UHFFFAOYSA-N
XLogP4.36
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(quinolin-2-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The IUPAC name of 1'-(quinolin-2-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (CID 70687251) is 1'-(quinolin-2-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].
What is the SMILES notation for 1'-(quinolin-2-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The canonical SMILES for 1'-(quinolin-2-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is c1ccc2nc(CN3CCC4(CC3)OCCc3sccc34)ccc2c1.
What is the InChIKey of 1'-(quinolin-2-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The InChIKey is QJXPHXNSAVSMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2OS/c1-2-4-19-16(3-1)5-6-17(22-19)15-23-11-9-21(10-12-23)18-8-14-25-20(18)7-13-24-21/h1-6,8,14H,7,9-13,15H2.
What are the key properties of 1'-(quinolin-2-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
1'-(quinolin-2-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] has a molecular weight of 350.49 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(quinolin-2-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is sourced from PubChem (CID 70687251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).