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

C19H16BrNO3 — CID 7394145

IUPAC(3R)-5-bromo-3-hydroxy-1-methyl-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one
SMILESCN1C(=O)[C@@](O)([C@@H]2CCc3ccccc3C2=O)c2cc(Br)ccc21
InChIInChI=1S/C19H16BrNO3/c1-21-16-9-7-12(20)10-15(16)19(24,18(21)23)14-8-6-11-4-2-3-5-13(11)17(14)22/h2-5,7,9-10,14,24H,6,8H2,1H3/t14-,19-/m1/s1
InChIKeyHGQGTNVOJXGLTO-AUUYWEPGSA-N
MW386.25 g/mol
LogP3.06
Rot. Bonds1

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

(3R)-5-bromo-3-hydroxy-1-methyl-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one (PubChem CID 7394145) has the molecular formula C19H16BrNO3 and a molecular weight of 386.25 g/mol. Its IUPAC name is (3R)-5-bromo-3-hydroxy-1-methyl-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one.

Molecular Properties

Compound Name(3R)-5-bromo-3-hydroxy-1-methyl-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one
PubChem CID7394145
Molecular FormulaC19H16BrNO3
Molecular Weight386.25 g/mol
Exact Mass385.03
IUPAC Name(3R)-5-bromo-3-hydroxy-1-methyl-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one
SMILESCN1C(=O)[C@@](O)([C@@H]2CCc3ccccc3C2=O)c2cc(Br)ccc21
InChIInChI=1S/C19H16BrNO3/c1-21-16-9-7-12(20)10-15(16)19(24,18(21)23)14-8-6-11-4-2-3-5-13(11)17(14)22/h2-5,7,9-10,14,24H,6,8H2,1H3/t14-,19-/m1/s1
InChIKeyHGQGTNVOJXGLTO-AUUYWEPGSA-N
XLogP3.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-hydroxy-1-methyl-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one
CID 723557
(3S)-5-bromo-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-1-(thiophen-2-ylmethyl)indol-2-one
CID 41281297
(3S)-5-bromo-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-1H-indol-2-one
CID 1425696
1-benzyl-5-chloro-3-hydroxy-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)indol-2-one
CID 66522994
(3R)-1-benzyl-5-chloro-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one
CID 95731462
3-hydroxy-1-[(4-methylpiperazin-1-yl)methyl]-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)indol-2-one
CID 17131208
(3S)-5-bromo-3-[(3R)-6,6-dimethyl-4-oxooxan-3-yl]-3-hydroxy-1-methylindol-2-one
CID 1248498
1-[(2,4-dimethylphenyl)methyl]-3-hydroxy-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)indol-2-one
CID 17077719
(3S)-3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one
CID 7288202
(3R)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one
CID 26413998
(3S)-3-hydroxy-3-[(2R)-6-methoxy-3-oxo-1,2-dihydroinden-2-yl]-1-methylindol-2-one
CID 695696
(3S)-5-bromo-3-hydroxy-1-methyl-3-[(2S)-1-oxo-1-phenylpropan-2-yl]indol-2-one
CID 7281206

Frequently Asked Questions

What is the IUPAC name of (3R)-5-bromo-3-hydroxy-1-methyl-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one?
The IUPAC name of (3R)-5-bromo-3-hydroxy-1-methyl-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one (CID 7394145) is (3R)-5-bromo-3-hydroxy-1-methyl-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one.
What is the SMILES notation for (3R)-5-bromo-3-hydroxy-1-methyl-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one?
The canonical SMILES for (3R)-5-bromo-3-hydroxy-1-methyl-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one is CN1C(=O)[C@@](O)([C@@H]2CCc3ccccc3C2=O)c2cc(Br)ccc21.
What is the InChIKey of (3R)-5-bromo-3-hydroxy-1-methyl-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one?
The InChIKey is HGQGTNVOJXGLTO-AUUYWEPGSA-N. The full InChI is InChI=1S/C19H16BrNO3/c1-21-16-9-7-12(20)10-15(16)19(24,18(21)23)14-8-6-11-4-2-3-5-13(11)17(14)22/h2-5,7,9-10,14,24H,6,8H2,1H3/t14-,19-/m1/s1.
What are the key properties of (3R)-5-bromo-3-hydroxy-1-methyl-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one?
(3R)-5-bromo-3-hydroxy-1-methyl-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one has a molecular weight of 386.25 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-bromo-3-hydroxy-1-methyl-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one is sourced from PubChem (CID 7394145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).