2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]quinoline-6-carbonitrile

C17H15N3O2 — CID 133493791

IUPAC2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]quinoline-6-carbonitrile
SMILESN#Cc1ccc2nc(NC(CCO)c3ccco3)ccc2c1
InChIInChI=1S/C17H15N3O2/c18-11-12-3-5-14-13(10-12)4-6-17(19-14)20-15(7-8-21)16-2-1-9-22-16/h1-6,9-10,15,21H,7-8H2,(H,19,20)
InChIKeyBPQTUWFDGCIFJE-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.24
Rot. Bonds5

About 2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]quinoline-6-carbonitrile

2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]quinoline-6-carbonitrile (PubChem CID 133493791) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]quinoline-6-carbonitrile.

Molecular Properties

Compound Name2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]quinoline-6-carbonitrile
PubChem CID133493791
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]quinoline-6-carbonitrile
SMILESN#Cc1ccc2nc(NC(CCO)c3ccco3)ccc2c1
InChIInChI=1S/C17H15N3O2/c18-11-12-3-5-14-13(10-12)4-6-17(19-14)20-15(7-8-21)16-2-1-9-22-16/h1-6,9-10,15,21H,7-8H2,(H,19,20)
InChIKeyBPQTUWFDGCIFJE-UHFFFAOYSA-N
XLogP3.24
TPSA82.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]quinoline-4-carbonitrile
CID 133490796
3-(furan-2-yl)-3-(pyrido[2,3-b]pyrazin-6-ylamino)propan-1-ol
CID 133493774
2-[[(1R)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]quinoline-6-carbonitrile
CID 97158817
3-(furan-2-yl)-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol
CID 133490704
6-[[1-(furan-2-yl)-3-hydroxypropyl]amino]-N-methylpyridazine-3-carboxamide
CID 133490799
3-anilino-3-(furan-2-yl)propan-1-ol
CID 83821736
3-(furan-2-yl)-3-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-1-ol
CID 133493815
3-(furan-2-yl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
CID 133490778
3-(furan-2-yl)-3-(propylamino)propan-1-ol
CID 64814709
3-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-3-(furan-2-yl)propan-1-ol
CID 133490705
2-[(3-hydroxy-3-phenylbutyl)amino]quinoline-6-carbonitrile
CID 133495701
3-(furan-2-yl)-3-[(5-nitropyrimidin-2-yl)amino]propan-1-ol
CID 133490903

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]quinoline-6-carbonitrile?
The IUPAC name of 2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]quinoline-6-carbonitrile (CID 133493791) is 2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]quinoline-6-carbonitrile.
What is the SMILES notation for 2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]quinoline-6-carbonitrile?
The canonical SMILES for 2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]quinoline-6-carbonitrile is N#Cc1ccc2nc(NC(CCO)c3ccco3)ccc2c1.
What is the InChIKey of 2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]quinoline-6-carbonitrile?
The InChIKey is BPQTUWFDGCIFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c18-11-12-3-5-14-13(10-12)4-6-17(19-14)20-15(7-8-21)16-2-1-9-22-16/h1-6,9-10,15,21H,7-8H2,(H,19,20).
What are the key properties of 2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]quinoline-6-carbonitrile?
2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]quinoline-6-carbonitrile has a molecular weight of 293.33 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]quinoline-6-carbonitrile is sourced from PubChem (CID 133493791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).