(5-ethylfuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone

C16H17NO2 — CID 115782095

IUPAC(5-ethylfuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
SMILESCCc1ccc(C(=O)C2CCCc3cccnc32)o1
InChIInChI=1S/C16H17NO2/c1-2-12-8-9-14(19-12)16(18)13-7-3-5-11-6-4-10-17-15(11)13/h4,6,8-10,13H,2-3,5,7H2,1H3
InChIKeyVBEOSENJAYXVPG-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.54
Rot. Bonds3

About (5-ethylfuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone

(5-ethylfuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone (PubChem CID 115782095) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (5-ethylfuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone.

Molecular Properties

Compound Name(5-ethylfuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
PubChem CID115782095
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name(5-ethylfuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
SMILESCCc1ccc(C(=O)C2CCCc3cccnc32)o1
InChIInChI=1S/C16H17NO2/c1-2-12-8-9-14(19-12)16(18)13-7-3-5-11-6-4-10-17-15(11)13/h4,6,8-10,13H,2-3,5,7H2,1H3
InChIKeyVBEOSENJAYXVPG-UHFFFAOYSA-N
XLogP3.54
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-ethylfuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
The IUPAC name of (5-ethylfuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone (CID 115782095) is (5-ethylfuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone.
What is the SMILES notation for (5-ethylfuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
The canonical SMILES for (5-ethylfuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone is CCc1ccc(C(=O)C2CCCc3cccnc32)o1.
What is the InChIKey of (5-ethylfuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
The InChIKey is VBEOSENJAYXVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-2-12-8-9-14(19-12)16(18)13-7-3-5-11-6-4-10-17-15(11)13/h4,6,8-10,13H,2-3,5,7H2,1H3.
What are the key properties of (5-ethylfuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
(5-ethylfuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone has a molecular weight of 255.32 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylfuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone is sourced from PubChem (CID 115782095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).