8-[furan-2-yl(hydroxy)methyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one

C15H15NO3 — CID 82174150

IUPAC8-[furan-2-yl(hydroxy)methyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc2c(c(C(O)c3ccco3)c1)NC(=O)CC2
InChIInChI=1S/C15H15NO3/c1-9-7-10-4-5-13(17)16-14(10)11(8-9)15(18)12-3-2-6-19-12/h2-3,6-8,15,18H,4-5H2,1H3,(H,16,17)
InChIKeyOTNNEKQTOWBSJU-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.55
Rot. Bonds2

About 8-[furan-2-yl(hydroxy)methyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one

8-[furan-2-yl(hydroxy)methyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 82174150) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 8-[furan-2-yl(hydroxy)methyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name8-[furan-2-yl(hydroxy)methyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID82174150
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name8-[furan-2-yl(hydroxy)methyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc2c(c(C(O)c3ccco3)c1)NC(=O)CC2
InChIInChI=1S/C15H15NO3/c1-9-7-10-4-5-13(17)16-14(10)11(8-9)15(18)12-3-2-6-19-12/h2-3,6-8,15,18H,4-5H2,1H3,(H,16,17)
InChIKeyOTNNEKQTOWBSJU-UHFFFAOYSA-N
XLogP2.55
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-[(2-chlorophenyl)-hydroxymethyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 82174159
8-ethyl-6-[furan-2-yl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 82174009
6-[furan-2-yl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61086798
8-[hydroxy(oxolan-2-yl)methyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 82174151
6-chloro-8-[hydroxy-(2-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 82174233
7-[hydroxy(thiophen-2-yl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 82172433
6-chloro-8-[hydroxy(phenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 82174232
6-fluoro-8-[(2-fluorophenyl)-hydroxymethyl]-3,4-dihydro-1H-quinolin-2-one
CID 82174281
5-[furan-2-yl(hydroxy)methyl]-3,6,7-trimethyl-1,3-dihydroindol-2-one
CID 82173107
6-[(2-fluorophenyl)-hydroxymethyl]-8-methyl-3,4-dihydro-1H-quinolin-2-one
CID 82173975
N-(6-methyl-2-oxo-3,4-dihydro-1H-quinolin-8-yl)formamide
CID 168651382
7-(1-hydroxy-2,2-dimethylpropyl)-5-methyl-1,3-dihydroindol-2-one
CID 82172426

Frequently Asked Questions

What is the IUPAC name of 8-[furan-2-yl(hydroxy)methyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 8-[furan-2-yl(hydroxy)methyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one (CID 82174150) is 8-[furan-2-yl(hydroxy)methyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 8-[furan-2-yl(hydroxy)methyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 8-[furan-2-yl(hydroxy)methyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one is Cc1cc2c(c(C(O)c3ccco3)c1)NC(=O)CC2.
What is the InChIKey of 8-[furan-2-yl(hydroxy)methyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is OTNNEKQTOWBSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-9-7-10-4-5-13(17)16-14(10)11(8-9)15(18)12-3-2-6-19-12/h2-3,6-8,15,18H,4-5H2,1H3,(H,16,17).
What are the key properties of 8-[furan-2-yl(hydroxy)methyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one?
8-[furan-2-yl(hydroxy)methyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 257.29 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[furan-2-yl(hydroxy)methyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 82174150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).