5-[(2S)-1-(5-propan-2-ylthiophen-2-yl)propan-2-yl]-2-[(2S)-2-quinolin-3-ylpropyl]-2,3-dihydrofuro[2,3-b]pyridine

C29H32N2OS — CID 139423374

IUPAC5-[(2S)-1-(5-propan-2-ylthiophen-2-yl)propan-2-yl]-2-[(2S)-2-quinolin-3-ylpropyl]-2,3-dihydrofuro[2,3-b]pyridine
SMILESCC(C)c1ccc(C[C@H](C)c2cnc3c(c2)CC(C[C@H](C)c2cnc4ccccc4c2)O3)s1
InChIInChI=1S/C29H32N2OS/c1-18(2)28-10-9-26(33-28)12-20(4)24-14-22-15-25(32-29(22)31-17-24)11-19(3)23-13-21-7-5-6-8-27(21)30-16-23/h5-10,13-14,16-20,25H,11-12,15H2,1-4H3/t19-,20-,25?/m0/s1
InChIKeyCMTMMYGDNHDICA-QGGGIAGFSA-N
MW456.66 g/mol
LogP7.66
Rot. Bonds7

About 5-[(2S)-1-(5-propan-2-ylthiophen-2-yl)propan-2-yl]-2-[(2S)-2-quinolin-3-ylpropyl]-2,3-dihydrofuro[2,3-b]pyridine

5-[(2S)-1-(5-propan-2-ylthiophen-2-yl)propan-2-yl]-2-[(2S)-2-quinolin-3-ylpropyl]-2,3-dihydrofuro[2,3-b]pyridine (PubChem CID 139423374) has the molecular formula C29H32N2OS and a molecular weight of 456.66 g/mol. Its IUPAC name is 5-[(2S)-1-(5-propan-2-ylthiophen-2-yl)propan-2-yl]-2-[(2S)-2-quinolin-3-ylpropyl]-2,3-dihydrofuro[2,3-b]pyridine.

Molecular Properties

Compound Name5-[(2S)-1-(5-propan-2-ylthiophen-2-yl)propan-2-yl]-2-[(2S)-2-quinolin-3-ylpropyl]-2,3-dihydrofuro[2,3-b]pyridine
PubChem CID139423374
Molecular FormulaC29H32N2OS
Molecular Weight456.66 g/mol
Exact Mass456.22
IUPAC Name5-[(2S)-1-(5-propan-2-ylthiophen-2-yl)propan-2-yl]-2-[(2S)-2-quinolin-3-ylpropyl]-2,3-dihydrofuro[2,3-b]pyridine
SMILESCC(C)c1ccc(C[C@H](C)c2cnc3c(c2)CC(C[C@H](C)c2cnc4ccccc4c2)O3)s1
InChIInChI=1S/C29H32N2OS/c1-18(2)28-10-9-26(33-28)12-20(4)24-14-22-15-25(32-29(22)31-17-24)11-19(3)23-13-21-7-5-6-8-27(21)30-16-23/h5-10,13-14,16-20,25H,11-12,15H2,1-4H3/t19-,20-,25?/m0/s1
InChIKeyCMTMMYGDNHDICA-QGGGIAGFSA-N
XLogP7.66
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.66
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[(2S)-1-(5-propan-2-ylthiophen-2-yl)propan-2-yl]-2-[(2S)-2-quinolin-3-ylpropyl]-2,3-dihydrofuro[2,3-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-(5-propan-2-ylthiophen-2-yl)propan-2-yl]-2-[(2S)-2-quinolin-3-ylpropyl]-2,3-dihydrofuro[2,3-b]pyridine?
The IUPAC name of 5-[(2S)-1-(5-propan-2-ylthiophen-2-yl)propan-2-yl]-2-[(2S)-2-quinolin-3-ylpropyl]-2,3-dihydrofuro[2,3-b]pyridine (CID 139423374) is 5-[(2S)-1-(5-propan-2-ylthiophen-2-yl)propan-2-yl]-2-[(2S)-2-quinolin-3-ylpropyl]-2,3-dihydrofuro[2,3-b]pyridine.
What is the SMILES notation for 5-[(2S)-1-(5-propan-2-ylthiophen-2-yl)propan-2-yl]-2-[(2S)-2-quinolin-3-ylpropyl]-2,3-dihydrofuro[2,3-b]pyridine?
The canonical SMILES for 5-[(2S)-1-(5-propan-2-ylthiophen-2-yl)propan-2-yl]-2-[(2S)-2-quinolin-3-ylpropyl]-2,3-dihydrofuro[2,3-b]pyridine is CC(C)c1ccc(C[C@H](C)c2cnc3c(c2)CC(C[C@H](C)c2cnc4ccccc4c2)O3)s1.
What is the InChIKey of 5-[(2S)-1-(5-propan-2-ylthiophen-2-yl)propan-2-yl]-2-[(2S)-2-quinolin-3-ylpropyl]-2,3-dihydrofuro[2,3-b]pyridine?
The InChIKey is CMTMMYGDNHDICA-QGGGIAGFSA-N. The full InChI is InChI=1S/C29H32N2OS/c1-18(2)28-10-9-26(33-28)12-20(4)24-14-22-15-25(32-29(22)31-17-24)11-19(3)23-13-21-7-5-6-8-27(21)30-16-23/h5-10,13-14,16-20,25H,11-12,15H2,1-4H3/t19-,20-,25?/m0/s1.
What are the key properties of 5-[(2S)-1-(5-propan-2-ylthiophen-2-yl)propan-2-yl]-2-[(2S)-2-quinolin-3-ylpropyl]-2,3-dihydrofuro[2,3-b]pyridine?
5-[(2S)-1-(5-propan-2-ylthiophen-2-yl)propan-2-yl]-2-[(2S)-2-quinolin-3-ylpropyl]-2,3-dihydrofuro[2,3-b]pyridine has a molecular weight of 456.66 g/mol, XLogP of 7.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-1-(5-propan-2-ylthiophen-2-yl)propan-2-yl]-2-[(2S)-2-quinolin-3-ylpropyl]-2,3-dihydrofuro[2,3-b]pyridine is sourced from PubChem (CID 139423374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).