[5-(aminomethyl)furan-2-yl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanone

C15H16N2O2 — CID 116590073

IUPAC[5-(aminomethyl)furan-2-yl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
SMILESNCc1ccc(C(=O)C2CCCc3cccnc32)o1
InChIInChI=1S/C15H16N2O2/c16-9-11-6-7-13(19-11)15(18)12-5-1-3-10-4-2-8-17-14(10)12/h2,4,6-8,12H,1,3,5,9,16H2
InChIKeyXFBFQUGGVNGWAW-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.44
Rot. Bonds3

About [5-(aminomethyl)furan-2-yl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanone

[5-(aminomethyl)furan-2-yl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanone (PubChem CID 116590073) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is [5-(aminomethyl)furan-2-yl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanone.

Molecular Properties

Compound Name[5-(aminomethyl)furan-2-yl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
PubChem CID116590073
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name[5-(aminomethyl)furan-2-yl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
SMILESNCc1ccc(C(=O)C2CCCc3cccnc32)o1
InChIInChI=1S/C15H16N2O2/c16-9-11-6-7-13(19-11)15(18)12-5-1-3-10-4-2-8-17-14(10)12/h2,4,6-8,12H,1,3,5,9,16H2
InChIKeyXFBFQUGGVNGWAW-UHFFFAOYSA-N
XLogP2.44
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(aminomethyl)furan-2-yl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanone with MolForge

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Related Compounds

[5-(aminomethyl)furan-2-yl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 116590039
(5-ethylfuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 115782095
(5-methylfuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 115782072
1-benzofuran-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 79732531
(4-amino-3-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 116547254
(2-amino-4-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 79745583
2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid
CID 130855424
(2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 79746265
(2-methyl-3-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 105114230
(5-amino-1H-pyrazol-4-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 79745963
5,6,7,8-tetrahydroquinolin-8-yl-(3,4,5-trifluorophenyl)methanone
CID 79732335
2-pyridin-4-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 79746027

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)furan-2-yl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
The IUPAC name of [5-(aminomethyl)furan-2-yl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanone (CID 116590073) is [5-(aminomethyl)furan-2-yl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanone.
What is the SMILES notation for [5-(aminomethyl)furan-2-yl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
The canonical SMILES for [5-(aminomethyl)furan-2-yl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanone is NCc1ccc(C(=O)C2CCCc3cccnc32)o1.
What is the InChIKey of [5-(aminomethyl)furan-2-yl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
The InChIKey is XFBFQUGGVNGWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c16-9-11-6-7-13(19-11)15(18)12-5-1-3-10-4-2-8-17-14(10)12/h2,4,6-8,12H,1,3,5,9,16H2.
What are the key properties of [5-(aminomethyl)furan-2-yl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
[5-(aminomethyl)furan-2-yl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanone has a molecular weight of 256.31 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)furan-2-yl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanone is sourced from PubChem (CID 116590073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).