3-hydroxy-3-(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-1H-indol-2-one

C19H17NO4 — CID 2864705

IUPAC3-hydroxy-3-(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-1H-indol-2-one
SMILESCOc1ccc2c(c1)C(=O)C(C1(O)C(=O)Nc3ccccc31)CC2
InChIInChI=1S/C19H17NO4/c1-24-12-8-6-11-7-9-15(17(21)13(11)10-12)19(23)14-4-2-3-5-16(14)20-18(19)22/h2-6,8,10,15,23H,7,9H2,1H3,(H,20,22)
InChIKeySISBGYPFGBWATJ-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.28
Rot. Bonds2

About 3-hydroxy-3-(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-1H-indol-2-one

3-hydroxy-3-(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-1H-indol-2-one (PubChem CID 2864705) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-hydroxy-3-(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-1H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-1H-indol-2-one
PubChem CID2864705
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name3-hydroxy-3-(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-1H-indol-2-one
SMILESCOc1ccc2c(c1)C(=O)C(C1(O)C(=O)Nc3ccccc31)CC2
InChIInChI=1S/C19H17NO4/c1-24-12-8-6-11-7-9-15(17(21)13(11)10-12)19(23)14-4-2-3-5-16(14)20-18(19)22/h2-6,8,10,15,23H,7,9H2,1H3,(H,20,22)
InChIKeySISBGYPFGBWATJ-UHFFFAOYSA-N
XLogP2.28
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-hydroxy-3-[(2R)-6-methoxy-3-oxo-1,2-dihydroinden-2-yl]-1H-indol-2-one
CID 1118160
(3R)-3-hydroxy-3-[[(2S)-7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]methyl]-1H-indol-2-one
CID 721891
(3S)-3-hydroxy-3-[[(2S)-7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]methyl]-1H-indol-2-one
CID 721893
(3R)-3-hydroxy-3-[(2S)-6-methoxy-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-1H-indol-2-one
CID 838892
2-benzoyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 79235413
6-fluoro-3-hydroxy-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-1H-indol-2-one
CID 175039015
(3S)-5-bromo-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-1H-indol-2-one
CID 1425696
2-iodo-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 11266614
7-methoxy-2-(4-methoxybenzoyl)-3,4-dihydro-2H-naphthalen-1-one
CID 59419878
7-methoxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde
CID 18918770
(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)azanium chloride
CID 172641351
2-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 10845865

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-1H-indol-2-one?
The IUPAC name of 3-hydroxy-3-(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-1H-indol-2-one (CID 2864705) is 3-hydroxy-3-(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-1H-indol-2-one.
What is the SMILES notation for 3-hydroxy-3-(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-1H-indol-2-one?
The canonical SMILES for 3-hydroxy-3-(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-1H-indol-2-one is COc1ccc2c(c1)C(=O)C(C1(O)C(=O)Nc3ccccc31)CC2.
What is the InChIKey of 3-hydroxy-3-(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-1H-indol-2-one?
The InChIKey is SISBGYPFGBWATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-24-12-8-6-11-7-9-15(17(21)13(11)10-12)19(23)14-4-2-3-5-16(14)20-18(19)22/h2-6,8,10,15,23H,7,9H2,1H3,(H,20,22).
What are the key properties of 3-hydroxy-3-(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-1H-indol-2-one?
3-hydroxy-3-(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-1H-indol-2-one has a molecular weight of 323.35 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-1H-indol-2-one is sourced from PubChem (CID 2864705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).