3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile

C16H13N3OS — CID 658080

IUPAC3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile
SMILESN#Cc1sc2nc3c(c(-c4ccco4)c2c1N)CCCC3
InChIInChI=1S/C16H13N3OS/c17-8-12-15(18)14-13(11-6-3-7-20-11)9-4-1-2-5-10(9)19-16(14)21-12/h3,6-7H,1-2,4-5,18H2
InChIKeyMHQFILXFNJKKCL-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.89
Rot. Bonds1

About 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile

3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile (PubChem CID 658080) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile.

Molecular Properties

Compound Name3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile
PubChem CID658080
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile
SMILESN#Cc1sc2nc3c(c(-c4ccco4)c2c1N)CCCC3
InChIInChI=1S/C16H13N3OS/c17-8-12-15(18)14-13(11-6-3-7-20-11)9-4-1-2-5-10(9)19-16(14)21-12/h3,6-7H,1-2,4-5,18H2
InChIKeyMHQFILXFNJKKCL-UHFFFAOYSA-N
XLogP3.89
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile?
The IUPAC name of 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile (CID 658080) is 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile.
What is the SMILES notation for 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile?
The canonical SMILES for 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile is N#Cc1sc2nc3c(c(-c4ccco4)c2c1N)CCCC3.
What is the InChIKey of 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile?
The InChIKey is MHQFILXFNJKKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c17-8-12-15(18)14-13(11-6-3-7-20-11)9-4-1-2-5-10(9)19-16(14)21-12/h3,6-7H,1-2,4-5,18H2.
What are the key properties of 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile?
3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile has a molecular weight of 295.37 g/mol, XLogP of 3.89, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile is sourced from PubChem (CID 658080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).