3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(naphthalen-1-ylmethyl)indol-2-one

C25H19NO4 — CID 2946406

IUPAC3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(naphthalen-1-ylmethyl)indol-2-one
SMILESO=C(CC1(O)C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1ccco1
InChIInChI=1S/C25H19NO4/c27-22(23-13-6-14-30-23)15-25(29)20-11-3-4-12-21(20)26(24(25)28)16-18-9-5-8-17-7-1-2-10-19(17)18/h1-14,29H,15-16H2
InChIKeyPREIGEHOAZAZJJ-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.44
Rot. Bonds5

About 3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(naphthalen-1-ylmethyl)indol-2-one

3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(naphthalen-1-ylmethyl)indol-2-one (PubChem CID 2946406) has the molecular formula C25H19NO4 and a molecular weight of 397.43 g/mol. Its IUPAC name is 3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(naphthalen-1-ylmethyl)indol-2-one.

Molecular Properties

Compound Name3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(naphthalen-1-ylmethyl)indol-2-one
PubChem CID2946406
Molecular FormulaC25H19NO4
Molecular Weight397.43 g/mol
Exact Mass397.13
IUPAC Name3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(naphthalen-1-ylmethyl)indol-2-one
SMILESO=C(CC1(O)C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1ccco1
InChIInChI=1S/C25H19NO4/c27-22(23-13-6-14-30-23)15-25(29)20-11-3-4-12-21(20)26(24(25)28)16-18-9-5-8-17-7-1-2-10-19(17)18/h1-14,29H,15-16H2
InChIKeyPREIGEHOAZAZJJ-UHFFFAOYSA-N
XLogP4.44
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-[(E)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxy-1-(naphthalen-1-ylmethyl)indol-2-one
CID 40853253
(3S)-1-[(3-chlorophenyl)methyl]-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 95244691
3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(thiophen-2-ylmethyl)indol-2-one
CID 17131251
(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(2-methylpropyl)indol-2-one
CID 95244730
3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one
CID 2938960
(3S)-3-hydroxy-1-(naphthalen-1-ylmethyl)-3-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]indol-2-one
CID 40873758
(3S)-3-hydroxy-1-(naphthalen-1-ylmethyl)-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]indol-2-one
CID 41339036
(3R)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-1-(naphthalen-1-ylmethyl)indol-2-one
CID 1287714
3-hydroxy-1-(naphthalen-1-ylmethyl)-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one
CID 2957285
(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-[(4-nitrophenyl)methyl]indol-2-one
CID 7353308
(3S)-3-[2-(4-tert-butyl-2,6-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-(naphthalen-1-ylmethyl)indol-2-one
CID 41339172
(3R)-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-(naphthalen-1-ylmethyl)indol-2-one
CID 40796601

Frequently Asked Questions

What is the IUPAC name of 3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(naphthalen-1-ylmethyl)indol-2-one?
The IUPAC name of 3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(naphthalen-1-ylmethyl)indol-2-one (CID 2946406) is 3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(naphthalen-1-ylmethyl)indol-2-one.
What is the SMILES notation for 3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(naphthalen-1-ylmethyl)indol-2-one?
The canonical SMILES for 3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(naphthalen-1-ylmethyl)indol-2-one is O=C(CC1(O)C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1ccco1.
What is the InChIKey of 3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(naphthalen-1-ylmethyl)indol-2-one?
The InChIKey is PREIGEHOAZAZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO4/c27-22(23-13-6-14-30-23)15-25(29)20-11-3-4-12-21(20)26(24(25)28)16-18-9-5-8-17-7-1-2-10-19(17)18/h1-14,29H,15-16H2.
What are the key properties of 3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(naphthalen-1-ylmethyl)indol-2-one?
3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(naphthalen-1-ylmethyl)indol-2-one has a molecular weight of 397.43 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(naphthalen-1-ylmethyl)indol-2-one is sourced from PubChem (CID 2946406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).