(3R)-3-hydroxy-3-[(2S)-6-methoxy-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-1H-indol-2-one

C20H19NO4 — CID 838892

IUPAC(3R)-3-hydroxy-3-[(2S)-6-methoxy-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-1H-indol-2-one
SMILESCOc1ccc2c(c1C)CC[C@@H]([C@]1(O)C(=O)Nc3ccccc31)C2=O
InChIInChI=1S/C20H19NO4/c1-11-12-7-9-15(18(22)13(12)8-10-17(11)25-2)20(24)14-5-3-4-6-16(14)21-19(20)23/h3-6,8,10,15,24H,7,9H2,1-2H3,(H,21,23)/t15-,20+/m1/s1
InChIKeyBCJVMMHYYMFUGN-QRWLVFNGSA-N
MW337.38 g/mol
LogP2.59
Rot. Bonds2

About (3R)-3-hydroxy-3-[(2S)-6-methoxy-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-1H-indol-2-one

(3R)-3-hydroxy-3-[(2S)-6-methoxy-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-1H-indol-2-one (PubChem CID 838892) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is (3R)-3-hydroxy-3-[(2S)-6-methoxy-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-3-[(2S)-6-methoxy-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-1H-indol-2-one
PubChem CID838892
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name(3R)-3-hydroxy-3-[(2S)-6-methoxy-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-1H-indol-2-one
SMILESCOc1ccc2c(c1C)CC[C@@H]([C@]1(O)C(=O)Nc3ccccc31)C2=O
InChIInChI=1S/C20H19NO4/c1-11-12-7-9-15(18(22)13(12)8-10-17(11)25-2)20(24)14-5-3-4-6-16(14)21-19(20)23/h3-6,8,10,15,24H,7,9H2,1-2H3,(H,21,23)/t15-,20+/m1/s1
InChIKeyBCJVMMHYYMFUGN-QRWLVFNGSA-N
XLogP2.59
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-3-(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-1H-indol-2-one
CID 2864705
(3S)-3-hydroxy-3-[(2R)-6-methoxy-3-oxo-1,2-dihydroinden-2-yl]-1H-indol-2-one
CID 1118160
(3R)-3-hydroxy-3-[(1R)-2-oxocycloheptyl]-1H-indol-2-one
CID 678131
(3S)-3-hydroxy-3-[(1R,3S)-3-methyl-2-oxocyclohexyl]-1H-indol-2-one
CID 7066270
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
3-(3-benzylidene-2-oxocyclohexyl)-3-hydroxy-1H-indol-2-one
CID 71835394
(3R)-3-hydroxy-3-(2-methoxyphenyl)-1H-indol-2-one
CID 7333204
(3R)-3-[(1R,5R)-5-tert-butyl-2-oxocyclohexyl]-3-hydroxy-1H-indol-2-one
CID 42561945
(3S)-3-[(1S,5R)-5-ethyl-2-oxocyclohexyl]-3-hydroxy-1H-indol-2-one
CID 1240751
1'-hydroxy-3'-methoxy-2'-methylspiro[1H-indole-3,9'-fluorene]-2-one
CID 132600722
3-hydroxy-3-pyrrolidin-2-yl-1H-indol-2-one
CID 83034122

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-3-[(2S)-6-methoxy-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-1H-indol-2-one?
The IUPAC name of (3R)-3-hydroxy-3-[(2S)-6-methoxy-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-1H-indol-2-one (CID 838892) is (3R)-3-hydroxy-3-[(2S)-6-methoxy-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-1H-indol-2-one.
What is the SMILES notation for (3R)-3-hydroxy-3-[(2S)-6-methoxy-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-1H-indol-2-one?
The canonical SMILES for (3R)-3-hydroxy-3-[(2S)-6-methoxy-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-1H-indol-2-one is COc1ccc2c(c1C)CC[C@@H]([C@]1(O)C(=O)Nc3ccccc31)C2=O.
What is the InChIKey of (3R)-3-hydroxy-3-[(2S)-6-methoxy-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-1H-indol-2-one?
The InChIKey is BCJVMMHYYMFUGN-QRWLVFNGSA-N. The full InChI is InChI=1S/C20H19NO4/c1-11-12-7-9-15(18(22)13(12)8-10-17(11)25-2)20(24)14-5-3-4-6-16(14)21-19(20)23/h3-6,8,10,15,24H,7,9H2,1-2H3,(H,21,23)/t15-,20+/m1/s1.
What are the key properties of (3R)-3-hydroxy-3-[(2S)-6-methoxy-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-1H-indol-2-one?
(3R)-3-hydroxy-3-[(2S)-6-methoxy-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-1H-indol-2-one has a molecular weight of 337.38 g/mol, XLogP of 2.59, 2 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)-6-methoxy-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-1H-indol-2-one is sourced from PubChem (CID 838892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).