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

C14H13NO3 — CID 61086798

IUPAC6-[furan-2-yl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(O)c3ccco3)ccc2N1
InChIInChI=1S/C14H13NO3/c16-13-6-4-9-8-10(3-5-11(9)15-13)14(17)12-2-1-7-18-12/h1-3,5,7-8,14,17H,4,6H2,(H,15,16)
InChIKeyPGVHRPUVKKCADH-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.25
Rot. Bonds2

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

6-[furan-2-yl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 61086798) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 6-[furan-2-yl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[furan-2-yl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID61086798
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name6-[furan-2-yl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(O)c3ccco3)ccc2N1
InChIInChI=1S/C14H13NO3/c16-13-6-4-9-8-10(3-5-11(9)15-13)14(17)12-2-1-7-18-12/h1-3,5,7-8,14,17H,4,6H2,(H,15,16)
InChIKeyPGVHRPUVKKCADH-UHFFFAOYSA-N
XLogP2.25
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-[furan-2-yl(hydroxy)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 61086743
7-[chloro(furan-2-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61085451
8-ethyl-6-[furan-2-yl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 82174009
7-[furan-2-yl(methylamino)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43487004
6-[hydroxy-(4-methoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 19854729
6-[(1S)-2-chloro-1-hydroxyethyl]-3,4-dihydro-1H-quinolin-2-one
CID 69453325
6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854697
6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116939160
6-[(3-chloro-2-fluorophenyl)-hydroxymethyl]-3,4-dihydro-1H-quinolin-2-one
CID 81264995
6-[(2-chloro-4-methylphenyl)-hydroxymethyl]-3,4-dihydro-1H-quinolin-2-one
CID 106862670
6-[hydroxy-(2-methylcyclopropyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61087528
6-[cyclooctyl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 65023228

Frequently Asked Questions

What is the IUPAC name of 6-[furan-2-yl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[furan-2-yl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one (CID 61086798) is 6-[furan-2-yl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[furan-2-yl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[furan-2-yl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C(O)c3ccco3)ccc2N1.
What is the InChIKey of 6-[furan-2-yl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is PGVHRPUVKKCADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c16-13-6-4-9-8-10(3-5-11(9)15-13)14(17)12-2-1-7-18-12/h1-3,5,7-8,14,17H,4,6H2,(H,15,16).
What are the key properties of 6-[furan-2-yl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one?
6-[furan-2-yl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 243.26 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[furan-2-yl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 61086798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).