6-(furan-3-yl)-1,2,3,4-tetrahydroquinoline

C13H13NO — CID 63950356

IUPAC6-(furan-3-yl)-1,2,3,4-tetrahydroquinoline
SMILESc1cc(-c2ccc3c(c2)CCCN3)co1
InChIInChI=1S/C13H13NO/c1-2-11-8-10(12-5-7-15-9-12)3-4-13(11)14-6-1/h3-5,7-9,14H,1-2,6H2
InChIKeyHLEFTMBAFITBOP-UHFFFAOYSA-N
MW199.25 g/mol
LogP3.30
Rot. Bonds1

About 6-(furan-3-yl)-1,2,3,4-tetrahydroquinoline

6-(furan-3-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 63950356) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 6-(furan-3-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-(furan-3-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID63950356
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name6-(furan-3-yl)-1,2,3,4-tetrahydroquinoline
SMILESc1cc(-c2ccc3c(c2)CCCN3)co1
InChIInChI=1S/C13H13NO/c1-2-11-8-10(12-5-7-15-9-12)3-4-13(11)14-6-1/h3-5,7-9,14H,1-2,6H2
InChIKeyHLEFTMBAFITBOP-UHFFFAOYSA-N
XLogP3.30
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-3-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-(furan-3-yl)-1,2,3,4-tetrahydroquinoline (CID 63950356) is 6-(furan-3-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-(furan-3-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-(furan-3-yl)-1,2,3,4-tetrahydroquinoline is c1cc(-c2ccc3c(c2)CCCN3)co1.
What is the InChIKey of 6-(furan-3-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is HLEFTMBAFITBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-2-11-8-10(12-5-7-15-9-12)3-4-13(11)14-6-1/h3-5,7-9,14H,1-2,6H2.
What are the key properties of 6-(furan-3-yl)-1,2,3,4-tetrahydroquinoline?
6-(furan-3-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 199.25 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-3-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 63950356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).