6-(furan-2-yl)-4,4-dimethyl-1,3-dihydroquinolin-2-one

C15H15NO2 — CID 168528419

IUPAC6-(furan-2-yl)-4,4-dimethyl-1,3-dihydroquinolin-2-one
SMILESCC1(C)CC(=O)Nc2ccc(-c3ccco3)cc21
InChIInChI=1S/C15H15NO2/c1-15(2)9-14(17)16-12-6-5-10(8-11(12)15)13-4-3-7-18-13/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyCPQVCNIFYFXLIK-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.57
Rot. Bonds1

About 6-(furan-2-yl)-4,4-dimethyl-1,3-dihydroquinolin-2-one

6-(furan-2-yl)-4,4-dimethyl-1,3-dihydroquinolin-2-one (PubChem CID 168528419) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 6-(furan-2-yl)-4,4-dimethyl-1,3-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-(furan-2-yl)-4,4-dimethyl-1,3-dihydroquinolin-2-one
PubChem CID168528419
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name6-(furan-2-yl)-4,4-dimethyl-1,3-dihydroquinolin-2-one
SMILESCC1(C)CC(=O)Nc2ccc(-c3ccco3)cc21
InChIInChI=1S/C15H15NO2/c1-15(2)9-14(17)16-12-6-5-10(8-11(12)15)13-4-3-7-18-13/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyCPQVCNIFYFXLIK-UHFFFAOYSA-N
XLogP3.57
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(furan-2-yl)-1,1-dimethyl-2,4-dihydroisoquinolin-3-one
CID 168527165
6-amino-4,4-dimethyl-1,3-dihydroquinolin-2-one;hydrochloride
CID 131637567
N-(furan-2-ylmethyl)-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-carboxamide
CID 91946269
N-[2-(furan-2-yl)-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]methanesulfonamide
CID 3690765
8-(furan-2-yl)-3,3,5-trimethyl-2H-1,5-benzoxazepin-4-one
CID 168528038
2-(furan-2-yl)-8-methoxy-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
CID 3744126
2-(5,6,7,8-tetrahydronaphthalen-2-yl)furan
CID 90886598
2-tert-butyl-5-(furan-2-yl)isoindole-1,3-dione
CID 168527569
3-[4-(furan-2-yl)phenyl]-1H-pyridazin-6-one
CID 168527958
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)furan
CID 146495264
3-[3-(furan-2-yl)phenyl]-1,4-dihydropyrazol-5-one
CID 168525548
7-(furan-2-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 66875823

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-4,4-dimethyl-1,3-dihydroquinolin-2-one?
The IUPAC name of 6-(furan-2-yl)-4,4-dimethyl-1,3-dihydroquinolin-2-one (CID 168528419) is 6-(furan-2-yl)-4,4-dimethyl-1,3-dihydroquinolin-2-one.
What is the SMILES notation for 6-(furan-2-yl)-4,4-dimethyl-1,3-dihydroquinolin-2-one?
The canonical SMILES for 6-(furan-2-yl)-4,4-dimethyl-1,3-dihydroquinolin-2-one is CC1(C)CC(=O)Nc2ccc(-c3ccco3)cc21.
What is the InChIKey of 6-(furan-2-yl)-4,4-dimethyl-1,3-dihydroquinolin-2-one?
The InChIKey is CPQVCNIFYFXLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-15(2)9-14(17)16-12-6-5-10(8-11(12)15)13-4-3-7-18-13/h3-8H,9H2,1-2H3,(H,16,17).
What are the key properties of 6-(furan-2-yl)-4,4-dimethyl-1,3-dihydroquinolin-2-one?
6-(furan-2-yl)-4,4-dimethyl-1,3-dihydroquinolin-2-one has a molecular weight of 241.29 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-4,4-dimethyl-1,3-dihydroquinolin-2-one is sourced from PubChem (CID 168528419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).