3-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-piperidin-1-yl-2-pyridin-2-yl-2-quinolin-2-yl-3-thiophen-2-ylmorpholine

C34H32N6O2S — CID 141281768

IUPAC3-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-piperidin-1-yl-2-pyridin-2-yl-2-quinolin-2-yl-3-thiophen-2-ylmorpholine
SMILESc1ccc(C2(c3ccc4ccccc4n3)OC(c3ncc[nH]3)CN(N3CCCCC3)C2(c2ccco2)c2cccs2)nc1
InChIInChI=1S/C34H32N6O2S/c1-6-20-39(21-7-1)40-24-27(32-36-18-19-37-32)42-34(28-12-4-5-17-35-28,29-16-15-25-10-2-3-11-26(25)38-29)33(40,30-13-8-22-41-30)31-14-9-23-43-31/h2-5,8-19,22-23,27H,1,6-7,20-21,24H2,(H,36,37)
InChIKeyLFRDARYLWDRYRW-UHFFFAOYSA-N
MW588.74 g/mol
LogP6.67
Rot. Bonds6

About 3-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-piperidin-1-yl-2-pyridin-2-yl-2-quinolin-2-yl-3-thiophen-2-ylmorpholine

3-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-piperidin-1-yl-2-pyridin-2-yl-2-quinolin-2-yl-3-thiophen-2-ylmorpholine (PubChem CID 141281768) has the molecular formula C34H32N6O2S and a molecular weight of 588.74 g/mol. Its IUPAC name is 3-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-piperidin-1-yl-2-pyridin-2-yl-2-quinolin-2-yl-3-thiophen-2-ylmorpholine.

Molecular Properties

Compound Name3-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-piperidin-1-yl-2-pyridin-2-yl-2-quinolin-2-yl-3-thiophen-2-ylmorpholine
PubChem CID141281768
Molecular FormulaC34H32N6O2S
Molecular Weight588.74 g/mol
Exact Mass588.23
IUPAC Name3-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-piperidin-1-yl-2-pyridin-2-yl-2-quinolin-2-yl-3-thiophen-2-ylmorpholine
SMILESc1ccc(C2(c3ccc4ccccc4n3)OC(c3ncc[nH]3)CN(N3CCCCC3)C2(c2ccco2)c2cccs2)nc1
InChIInChI=1S/C34H32N6O2S/c1-6-20-39(21-7-1)40-24-27(32-36-18-19-37-32)42-34(28-12-4-5-17-35-28,29-16-15-25-10-2-3-11-26(25)38-29)33(40,30-13-8-22-41-30)31-14-9-23-43-31/h2-5,8-19,22-23,27H,1,6-7,20-21,24H2,(H,36,37)
InChIKeyLFRDARYLWDRYRW-UHFFFAOYSA-N
XLogP6.67
TPSA83.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.74
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

4-[5-[3-[2-[4-[3-[3-[3-(1H-imidazol-2-yl)-1H-pyrrol-2-yl]thiophen-2-yl]furan-2-yl]-1,3-thiazol-2-yl]piperazin-1-yl]oxan-2-yl]-2-piperidin-1-yl-2-(1,3-thiazolidin-2-yl)pyrrolidin-3-yl]-3-(2-quinazolin-2-yl-1,3-oxazolidin-2-yl)morpholine
CID 123776950
4-(furan-2-yl)-6-pyrazin-2-yl-8-pyridin-2-yl-7-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-2-thiophen-2-yl-5-(triazin-4-yl)quinoline
CID 140998497
4-(furan-2-yl)-2-(1H-imidazol-2-yl)-2-pyrazin-2-yl-5-pyridin-2-yl-1-pyrimidin-2-yl-3-thiophen-2-yl-3H-indole
CID 140998691
3-(furan-2-yl)-4-pyrazin-2-yl-3-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,2-oxazolidine
CID 141012348
4-(furan-2-yl)-2-pyridin-2-yl-6-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrimidine
CID 141059921
2-[6-(furan-2-yl)-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3-pyridinyl]quinoline
CID 141095880
3-(Furan-2-yl)-4-piperidin-1-yl-2-pyridin-2-yl-2-quinolin-2-yl-3-thiophen-2-ylmorpholine
CID 141098916
2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-pyridin-2-yl-1-thiophen-2-ylpiperidin-2-yl]quinoline
CID 141099357
2-[5-(furan-2-yl)-5-pyridazin-3-yl-2-pyridin-2-yl-6-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-3-thiophen-2-ylcyclohexa-1,3-dien-1-yl]pyrazine
CID 141150929
2-[4-(Furan-2-yl)-5-isoquinolin-1-yl-2-quinazolin-2-yl-4-quinolin-2-yl-5-thiophen-2-ylfuran-3-yl]quinoxaline
CID 141300498
N-[5-(furan-2-yl)-1H-imidazol-2-yl]-2-phenyl-6-thiophen-3-ylquinoline-4-carboxamide
CID 156700839
cumene;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;4-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157299544

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-piperidin-1-yl-2-pyridin-2-yl-2-quinolin-2-yl-3-thiophen-2-ylmorpholine?
The IUPAC name of 3-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-piperidin-1-yl-2-pyridin-2-yl-2-quinolin-2-yl-3-thiophen-2-ylmorpholine (CID 141281768) is 3-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-piperidin-1-yl-2-pyridin-2-yl-2-quinolin-2-yl-3-thiophen-2-ylmorpholine.
What is the SMILES notation for 3-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-piperidin-1-yl-2-pyridin-2-yl-2-quinolin-2-yl-3-thiophen-2-ylmorpholine?
The canonical SMILES for 3-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-piperidin-1-yl-2-pyridin-2-yl-2-quinolin-2-yl-3-thiophen-2-ylmorpholine is c1ccc(C2(c3ccc4ccccc4n3)OC(c3ncc[nH]3)CN(N3CCCCC3)C2(c2ccco2)c2cccs2)nc1.
What is the InChIKey of 3-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-piperidin-1-yl-2-pyridin-2-yl-2-quinolin-2-yl-3-thiophen-2-ylmorpholine?
The InChIKey is LFRDARYLWDRYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N6O2S/c1-6-20-39(21-7-1)40-24-27(32-36-18-19-37-32)42-34(28-12-4-5-17-35-28,29-16-15-25-10-2-3-11-26(25)38-29)33(40,30-13-8-22-41-30)31-14-9-23-43-31/h2-5,8-19,22-23,27H,1,6-7,20-21,24H2,(H,36,37).
What are the key properties of 3-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-piperidin-1-yl-2-pyridin-2-yl-2-quinolin-2-yl-3-thiophen-2-ylmorpholine?
3-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-piperidin-1-yl-2-pyridin-2-yl-2-quinolin-2-yl-3-thiophen-2-ylmorpholine has a molecular weight of 588.74 g/mol, XLogP of 6.67, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-piperidin-1-yl-2-pyridin-2-yl-2-quinolin-2-yl-3-thiophen-2-ylmorpholine is sourced from PubChem (CID 141281768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).