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

C15H15NO2 — CID 115782072

IUPAC(5-methylfuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
SMILESCc1ccc(C(=O)C2CCCc3cccnc32)o1
InChIInChI=1S/C15H15NO2/c1-10-7-8-13(18-10)15(17)12-6-2-4-11-5-3-9-16-14(11)12/h3,5,7-9,12H,2,4,6H2,1H3
InChIKeyVNQRWGJKZUVUNM-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.29
Rot. Bonds2

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

(5-methylfuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone (PubChem CID 115782072) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is (5-methylfuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone.

Molecular Properties

Compound Name(5-methylfuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
PubChem CID115782072
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name(5-methylfuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
SMILESCc1ccc(C(=O)C2CCCc3cccnc32)o1
InChIInChI=1S/C15H15NO2/c1-10-7-8-13(18-10)15(17)12-6-2-4-11-5-3-9-16-14(11)12/h3,5,7-9,12H,2,4,6H2,1H3
InChIKeyVNQRWGJKZUVUNM-UHFFFAOYSA-N
XLogP3.29
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-ethylfuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 115782095
[5-(aminomethyl)furan-2-yl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 116590073
(2-methyl-3-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 105114230
1-benzofuran-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 79732531
[5-(aminomethyl)furan-2-yl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 116590039
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
5,6,7,8-tetrahydroquinolin-8-yl-(3,4,5-trifluorophenyl)methanone
CID 79732335
(2-methoxy-5-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 115782285
3-amino-2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 116612266
(5-methyloxolan-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 115782292
(3-bromo-4-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 82808763

Frequently Asked Questions

What is the IUPAC name of (5-methylfuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
The IUPAC name of (5-methylfuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone (CID 115782072) is (5-methylfuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone.
What is the SMILES notation for (5-methylfuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
The canonical SMILES for (5-methylfuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone is Cc1ccc(C(=O)C2CCCc3cccnc32)o1.
What is the InChIKey of (5-methylfuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
The InChIKey is VNQRWGJKZUVUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-10-7-8-13(18-10)15(17)12-6-2-4-11-5-3-9-16-14(11)12/h3,5,7-9,12H,2,4,6H2,1H3.
What are the key properties of (5-methylfuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
(5-methylfuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone has a molecular weight of 241.29 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylfuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone is sourced from PubChem (CID 115782072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).