(3R)-3-hydroxy-3-[[(2S)-7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]methyl]-1H-indol-2-one

C20H19NO4 — CID 721891

IUPAC(3R)-3-hydroxy-3-[[(2S)-7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]methyl]-1H-indol-2-one
SMILESCOc1ccc2c(c1)C(=O)[C@H](C[C@]1(O)C(=O)Nc3ccccc31)CC2
InChIInChI=1S/C20H19NO4/c1-25-14-9-8-12-6-7-13(18(22)15(12)10-14)11-20(24)16-4-2-3-5-17(16)21-19(20)23/h2-5,8-10,13,24H,6-7,11H2,1H3,(H,21,23)/t13-,20+/m0/s1
InChIKeyLNKYOYCNQWXIDU-RNODOKPDSA-N
MW337.38 g/mol
LogP2.67
Rot. Bonds3

About (3R)-3-hydroxy-3-[[(2S)-7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]methyl]-1H-indol-2-one

(3R)-3-hydroxy-3-[[(2S)-7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]methyl]-1H-indol-2-one (PubChem CID 721891) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is (3R)-3-hydroxy-3-[[(2S)-7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]methyl]-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-3-[[(2S)-7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]methyl]-1H-indol-2-one
PubChem CID721891
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name(3R)-3-hydroxy-3-[[(2S)-7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]methyl]-1H-indol-2-one
SMILESCOc1ccc2c(c1)C(=O)[C@H](C[C@]1(O)C(=O)Nc3ccccc31)CC2
InChIInChI=1S/C20H19NO4/c1-25-14-9-8-12-6-7-13(18(22)15(12)10-14)11-20(24)16-4-2-3-5-17(16)21-19(20)23/h2-5,8-10,13,24H,6-7,11H2,1H3,(H,21,23)/t13-,20+/m0/s1
InChIKeyLNKYOYCNQWXIDU-RNODOKPDSA-N
XLogP2.67
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-3-hydroxy-3-[[(2S)-7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]methyl]-1H-indol-2-one with MolForge

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Related Compounds

(3S)-3-hydroxy-3-[[(2S)-7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]methyl]-1H-indol-2-one
CID 721893
3-hydroxy-3-(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-1H-indol-2-one
CID 2864705
2-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 10845865
3-(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoic acid
CID 10776928
(3S)-3-hydroxy-3-[(2R)-6-methoxy-3-oxo-1,2-dihydroinden-2-yl]-1H-indol-2-one
CID 1118160
(3R)-3-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 39890045
2-iodo-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 11266614
2-benzoyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 79235413
7-methoxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde
CID 18918770
(2R)-2-benzyl-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 101410052
(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)azanium chloride
CID 172641351
3-hydroxy-3-(2-hydroxy-5-methoxyphenyl)-1H-indol-2-one
CID 15857499

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-3-[[(2S)-7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]methyl]-1H-indol-2-one?
The IUPAC name of (3R)-3-hydroxy-3-[[(2S)-7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]methyl]-1H-indol-2-one (CID 721891) is (3R)-3-hydroxy-3-[[(2S)-7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]methyl]-1H-indol-2-one.
What is the SMILES notation for (3R)-3-hydroxy-3-[[(2S)-7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]methyl]-1H-indol-2-one?
The canonical SMILES for (3R)-3-hydroxy-3-[[(2S)-7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]methyl]-1H-indol-2-one is COc1ccc2c(c1)C(=O)[C@H](C[C@]1(O)C(=O)Nc3ccccc31)CC2.
What is the InChIKey of (3R)-3-hydroxy-3-[[(2S)-7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]methyl]-1H-indol-2-one?
The InChIKey is LNKYOYCNQWXIDU-RNODOKPDSA-N. The full InChI is InChI=1S/C20H19NO4/c1-25-14-9-8-12-6-7-13(18(22)15(12)10-14)11-20(24)16-4-2-3-5-17(16)21-19(20)23/h2-5,8-10,13,24H,6-7,11H2,1H3,(H,21,23)/t13-,20+/m0/s1.
What are the key properties of (3R)-3-hydroxy-3-[[(2S)-7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]methyl]-1H-indol-2-one?
(3R)-3-hydroxy-3-[[(2S)-7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]methyl]-1H-indol-2-one has a molecular weight of 337.38 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-3-[[(2S)-7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]methyl]-1H-indol-2-one is sourced from PubChem (CID 721891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).