3-(furan-2-yl)-4-piperidin-1-yl-2-quinolin-2-yl-3-thiophen-2-ylmorpholine

C26H27N3O2S — CID 141073613

IUPAC3-(furan-2-yl)-4-piperidin-1-yl-2-quinolin-2-yl-3-thiophen-2-ylmorpholine
SMILESc1coc(C2(c3cccs3)C(c3ccc4ccccc4n3)OCCN2N2CCCCC2)c1
InChIInChI=1S/C26H27N3O2S/c1-4-14-28(15-5-1)29-16-18-31-25(22-13-12-20-8-2-3-9-21(20)27-22)26(29,23-10-6-17-30-23)24-11-7-19-32-24/h2-3,6-13,17,19,25H,1,4-5,14-16,18H2
InChIKeyWLKPSONXUKWRJL-UHFFFAOYSA-N
MW445.59 g/mol
LogP5.61
Rot. Bonds4

About 3-(furan-2-yl)-4-piperidin-1-yl-2-quinolin-2-yl-3-thiophen-2-ylmorpholine

3-(furan-2-yl)-4-piperidin-1-yl-2-quinolin-2-yl-3-thiophen-2-ylmorpholine (PubChem CID 141073613) has the molecular formula C26H27N3O2S and a molecular weight of 445.59 g/mol. Its IUPAC name is 3-(furan-2-yl)-4-piperidin-1-yl-2-quinolin-2-yl-3-thiophen-2-ylmorpholine.

Molecular Properties

Compound Name3-(furan-2-yl)-4-piperidin-1-yl-2-quinolin-2-yl-3-thiophen-2-ylmorpholine
PubChem CID141073613
Molecular FormulaC26H27N3O2S
Molecular Weight445.59 g/mol
Exact Mass445.18
IUPAC Name3-(furan-2-yl)-4-piperidin-1-yl-2-quinolin-2-yl-3-thiophen-2-ylmorpholine
SMILESc1coc(C2(c3cccs3)C(c3ccc4ccccc4n3)OCCN2N2CCCCC2)c1
InChIInChI=1S/C26H27N3O2S/c1-4-14-28(15-5-1)29-16-18-31-25(22-13-12-20-8-2-3-9-21(20)27-22)26(29,23-10-6-17-30-23)24-11-7-19-32-24/h2-3,6-13,17,19,25H,1,4-5,14-16,18H2
InChIKeyWLKPSONXUKWRJL-UHFFFAOYSA-N
XLogP5.61
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.59
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 898094
2-(5-ethyl-2-thienyl)-N-(2-furylmethyl)-4-quinolinecarboxamide
CID 1261721
N-(furan-2-ylmethyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 2165595
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 2357360
2-(Furan-2-yl)-6-pyridin-4-yl-4-thiophen-2-ylpyridine
CID 44423803
2-(Furan-2-yl)-6-pyridin-4-yl-4-thiophen-3-ylpyridine
CID 44423806
2-(Furan-2-yl)-6-phenyl-4-thiophen-2-ylpyridine
CID 44276099
2-(furan-2-yl)-4-thiophen-2-yl-5H-chromeno[4,3-b]pyridine
CID 53375673
7-fluoro-N-(furan-2-ylmethyl)-2-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 46686409
7-fluoro-N-(furan-2-ylmethyl)-2-methyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide
CID 46808046
N-(furan-2-ylmethyl)-N-methyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 17473218
Furan-2-yl(4-{[2-(5-methylthiophen-2-yl)quinolin-4-yl]carbonyl}piperazin-1-yl)methanone
CID 17374680

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-4-piperidin-1-yl-2-quinolin-2-yl-3-thiophen-2-ylmorpholine?
The IUPAC name of 3-(furan-2-yl)-4-piperidin-1-yl-2-quinolin-2-yl-3-thiophen-2-ylmorpholine (CID 141073613) is 3-(furan-2-yl)-4-piperidin-1-yl-2-quinolin-2-yl-3-thiophen-2-ylmorpholine.
What is the SMILES notation for 3-(furan-2-yl)-4-piperidin-1-yl-2-quinolin-2-yl-3-thiophen-2-ylmorpholine?
The canonical SMILES for 3-(furan-2-yl)-4-piperidin-1-yl-2-quinolin-2-yl-3-thiophen-2-ylmorpholine is c1coc(C2(c3cccs3)C(c3ccc4ccccc4n3)OCCN2N2CCCCC2)c1.
What is the InChIKey of 3-(furan-2-yl)-4-piperidin-1-yl-2-quinolin-2-yl-3-thiophen-2-ylmorpholine?
The InChIKey is WLKPSONXUKWRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2S/c1-4-14-28(15-5-1)29-16-18-31-25(22-13-12-20-8-2-3-9-21(20)27-22)26(29,23-10-6-17-30-23)24-11-7-19-32-24/h2-3,6-13,17,19,25H,1,4-5,14-16,18H2.
What are the key properties of 3-(furan-2-yl)-4-piperidin-1-yl-2-quinolin-2-yl-3-thiophen-2-ylmorpholine?
3-(furan-2-yl)-4-piperidin-1-yl-2-quinolin-2-yl-3-thiophen-2-ylmorpholine has a molecular weight of 445.59 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-4-piperidin-1-yl-2-quinolin-2-yl-3-thiophen-2-ylmorpholine is sourced from PubChem (CID 141073613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).