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

C16H17NO3 — CID 82174009

IUPAC8-ethyl-6-[furan-2-yl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCCc1cc(C(O)c2ccco2)cc2c1NC(=O)CC2
InChIInChI=1S/C16H17NO3/c1-2-10-8-12(16(19)13-4-3-7-20-13)9-11-5-6-14(18)17-15(10)11/h3-4,7-9,16,19H,2,5-6H2,1H3,(H,17,18)
InChIKeyDBFSIPZPQYNYLJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.81
Rot. Bonds3

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

8-ethyl-6-[furan-2-yl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 82174009) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 8-ethyl-6-[furan-2-yl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name8-ethyl-6-[furan-2-yl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID82174009
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name8-ethyl-6-[furan-2-yl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCCc1cc(C(O)c2ccco2)cc2c1NC(=O)CC2
InChIInChI=1S/C16H17NO3/c1-2-10-8-12(16(19)13-4-3-7-20-13)9-11-5-6-14(18)17-15(10)11/h3-4,7-9,16,19H,2,5-6H2,1H3,(H,17,18)
InChIKeyDBFSIPZPQYNYLJ-UHFFFAOYSA-N
XLogP2.81
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-ethyl-6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 82174002
6-[furan-2-yl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61086798
8-[furan-2-yl(hydroxy)methyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 82174150
7-ethyl-5-[hydroxy-(2-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 82172917
8-chloro-6-[hydroxy(phenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 82174090
7-[furan-2-yl(hydroxy)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 61086743
6-(2-chloroacetyl)-8-ethyl-3,4-dihydro-1H-quinolin-2-one
CID 10911993
1-[5-[furan-2-yl(hydroxy)methyl]-1,3-dihydroisoindol-2-yl]-2-methylpropan-1-one
CID 82175351
6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854697
6-ethyl-8-(1-hydroxy-2-thiophen-2-ylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82174207
1-[5-[furan-2-yl(hydroxy)methyl]-1,3-dihydroisoindol-2-yl]pentan-1-one
CID 82175458
6-chloro-8-[hydroxy(phenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 82174232

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-6-[furan-2-yl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 8-ethyl-6-[furan-2-yl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one (CID 82174009) is 8-ethyl-6-[furan-2-yl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 8-ethyl-6-[furan-2-yl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 8-ethyl-6-[furan-2-yl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one is CCc1cc(C(O)c2ccco2)cc2c1NC(=O)CC2.
What is the InChIKey of 8-ethyl-6-[furan-2-yl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is DBFSIPZPQYNYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-2-10-8-12(16(19)13-4-3-7-20-13)9-11-5-6-14(18)17-15(10)11/h3-4,7-9,16,19H,2,5-6H2,1H3,(H,17,18).
What are the key properties of 8-ethyl-6-[furan-2-yl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one?
8-ethyl-6-[furan-2-yl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 271.32 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-6-[furan-2-yl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 82174009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).