(3S)-3-hydroxy-3-(5-methoxy-1-methylindol-3-yl)-1-methylindol-2-one

C19H18N2O3 — CID 164672152

IUPAC(3S)-3-hydroxy-3-(5-methoxy-1-methylindol-3-yl)-1-methylindol-2-one
SMILESCOc1ccc2c(c1)c([C@@]1(O)C(=O)N(C)c3ccccc31)cn2C
InChIInChI=1S/C19H18N2O3/c1-20-11-15(13-10-12(24-3)8-9-16(13)20)19(23)14-6-4-5-7-17(14)21(2)18(19)22/h4-11,23H,1-3H3/t19-/m1/s1
InChIKeyLAWINWCJNPEYMQ-LJQANCHMSA-N
MW322.36 g/mol
LogP2.40
Rot. Bonds2

About (3S)-3-hydroxy-3-(5-methoxy-1-methylindol-3-yl)-1-methylindol-2-one

(3S)-3-hydroxy-3-(5-methoxy-1-methylindol-3-yl)-1-methylindol-2-one (PubChem CID 164672152) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is (3S)-3-hydroxy-3-(5-methoxy-1-methylindol-3-yl)-1-methylindol-2-one.

Molecular Properties

Compound Name(3S)-3-hydroxy-3-(5-methoxy-1-methylindol-3-yl)-1-methylindol-2-one
PubChem CID164672152
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name(3S)-3-hydroxy-3-(5-methoxy-1-methylindol-3-yl)-1-methylindol-2-one
SMILESCOc1ccc2c(c1)c([C@@]1(O)C(=O)N(C)c3ccccc31)cn2C
InChIInChI=1S/C19H18N2O3/c1-20-11-15(13-10-12(24-3)8-9-16(13)20)19(23)14-6-4-5-7-17(14)21(2)18(19)22/h4-11,23H,1-3H3/t19-/m1/s1
InChIKeyLAWINWCJNPEYMQ-LJQANCHMSA-N
XLogP2.40
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-6-methoxy-1-methyl-3-phenylindol-2-one
CID 139255146
tert-butyl N-[(3S)-5-methoxy-1-methyl-3-(1-methylindol-3-yl)-2-oxoindol-3-yl]carbamate
CID 102451331
(5-methoxy-1-methylindol-3-yl)boronic acid
CID 58933386
(3S)-3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
CID 957706
(3S)-3-hydroxy-3-[(2R)-6-methoxy-3-oxo-1,2-dihydroinden-2-yl]-1-methylindol-2-one
CID 695696
5-methoxy-1-methyl-3-(2-methylpyrrolidin-2-yl)indole
CID 82664697
3-bromo-5-methoxy-1,3-dimethylindol-2-one
CID 163653219
(3S)-3-(3,5-dimethoxyphenyl)-3-fluoro-1-methylindol-2-one
CID 132608894
5-methoxy-1-methyl-3-(2-methyloxolan-2-yl)indole
CID 101448637
3-bromo-5-methoxy-1-methylindole
CID 67003649
(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681
(5-methoxy-1-methylindol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 71701857

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-3-(5-methoxy-1-methylindol-3-yl)-1-methylindol-2-one?
The IUPAC name of (3S)-3-hydroxy-3-(5-methoxy-1-methylindol-3-yl)-1-methylindol-2-one (CID 164672152) is (3S)-3-hydroxy-3-(5-methoxy-1-methylindol-3-yl)-1-methylindol-2-one.
What is the SMILES notation for (3S)-3-hydroxy-3-(5-methoxy-1-methylindol-3-yl)-1-methylindol-2-one?
The canonical SMILES for (3S)-3-hydroxy-3-(5-methoxy-1-methylindol-3-yl)-1-methylindol-2-one is COc1ccc2c(c1)c([C@@]1(O)C(=O)N(C)c3ccccc31)cn2C.
What is the InChIKey of (3S)-3-hydroxy-3-(5-methoxy-1-methylindol-3-yl)-1-methylindol-2-one?
The InChIKey is LAWINWCJNPEYMQ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-20-11-15(13-10-12(24-3)8-9-16(13)20)19(23)14-6-4-5-7-17(14)21(2)18(19)22/h4-11,23H,1-3H3/t19-/m1/s1.
What are the key properties of (3S)-3-hydroxy-3-(5-methoxy-1-methylindol-3-yl)-1-methylindol-2-one?
(3S)-3-hydroxy-3-(5-methoxy-1-methylindol-3-yl)-1-methylindol-2-one has a molecular weight of 322.36 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-3-(5-methoxy-1-methylindol-3-yl)-1-methylindol-2-one is sourced from PubChem (CID 164672152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).