3,4-dihydro-2H-quinolin-1-yl-(2-methylfuran-3-yl)methanone

C15H15NO2 — CID 681611

IUPAC3,4-dihydro-2H-quinolin-1-yl-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C15H15NO2/c1-11-13(8-10-18-11)15(17)16-9-4-6-12-5-2-3-7-14(12)16/h2-3,5,7-8,10H,4,6,9H2,1H3
InChIKeyXTXKHUZLTLYTSO-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.18
Rot. Bonds1

About 3,4-dihydro-2H-quinolin-1-yl-(2-methylfuran-3-yl)methanone

3,4-dihydro-2H-quinolin-1-yl-(2-methylfuran-3-yl)methanone (PubChem CID 681611) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-(2-methylfuran-3-yl)methanone
PubChem CID681611
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C15H15NO2/c1-11-13(8-10-18-11)15(17)16-9-4-6-12-5-2-3-7-14(12)16/h2-3,5,7-8,10H,4,6,9H2,1H3
InChIKeyXTXKHUZLTLYTSO-UHFFFAOYSA-N
XLogP3.18
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(2-methylfuran-3-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(2-methylfuran-3-yl)methanone (CID 681611) is 3,4-dihydro-2H-quinolin-1-yl-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-(2-methylfuran-3-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-(2-methylfuran-3-yl)methanone is Cc1occc1C(=O)N1CCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-(2-methylfuran-3-yl)methanone?
The InChIKey is XTXKHUZLTLYTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-11-13(8-10-18-11)15(17)16-9-4-6-12-5-2-3-7-14(12)16/h2-3,5,7-8,10H,4,6,9H2,1H3.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-(2-methylfuran-3-yl)methanone?
3,4-dihydro-2H-quinolin-1-yl-(2-methylfuran-3-yl)methanone has a molecular weight of 241.29 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 681611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).