methyl 2-[(1R)-1-(2-naphthalen-2-yl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetate

C29H22N2O3 — CID 41002685

IUPACmethyl 2-[(1R)-1-(2-naphthalen-2-yl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetate
SMILESCOC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12
InChIInChI=1S/C29H22N2O3/c1-34-25(32)17-31-28(21-10-4-5-11-22(21)29(31)33)26-23-12-6-7-13-24(23)30-27(26)20-15-14-18-8-2-3-9-19(18)16-20/h2-16,28,30H,17H2,1H3/t28-/m1/s1
InChIKeyOFQNAXSYPWTZJA-MUUNZHRXSA-N
MW446.51 g/mol
LogP5.71
Rot. Bonds4

About methyl 2-[(1R)-1-(2-naphthalen-2-yl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetate

methyl 2-[(1R)-1-(2-naphthalen-2-yl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetate (PubChem CID 41002685) has the molecular formula C29H22N2O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is methyl 2-[(1R)-1-(2-naphthalen-2-yl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(1R)-1-(2-naphthalen-2-yl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetate
PubChem CID41002685
Molecular FormulaC29H22N2O3
Molecular Weight446.51 g/mol
Exact Mass446.16
IUPAC Namemethyl 2-[(1R)-1-(2-naphthalen-2-yl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetate
SMILESCOC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12
InChIInChI=1S/C29H22N2O3/c1-34-25(32)17-31-28(21-10-4-5-11-22(21)29(31)33)26-23-12-6-7-13-24(23)30-27(26)20-15-14-18-8-2-3-9-19(18)16-20/h2-16,28,30H,17H2,1H3/t28-/m1/s1
InChIKeyOFQNAXSYPWTZJA-MUUNZHRXSA-N
XLogP5.71
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.51
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-[(1R)-1-(2-naphthalen-2-yl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetate with MolForge

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Launch Full Analysis

Related Compounds

N-benzyl-2-[(1S)-1-[2-(3-methoxyphenyl)-1H-indol-3-yl]-3-oxo-1H-isoindol-2-yl]acetamide
CID 40932184
2-[(1R)-1-[2-(4-methylphenyl)-1H-indol-3-yl]-3-oxo-1H-isoindol-2-yl]acetate
CID 7357803
N'-[2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetyl]propanehydrazide
CID 3464828
N-(4-methylphenyl)-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetamide
CID 45133696
methyl 2-[[2-[(1S)-1-(2-methyl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetyl]amino]acetate
CID 7325251
(3S)-3-[2-(3-methoxyphenyl)-1H-indol-3-yl]-2-propyl-3H-isoindol-1-one
CID 41066044
2-[1-[2-(4-methylphenyl)-1H-indol-3-yl]-3-oxo-1H-isoindol-2-yl]-N'-phenylacetohydrazide
CID 3975387
2-[[2-[(1S)-1-[2-(4-methylphenyl)-1H-indol-3-yl]-3-oxo-1H-isoindol-2-yl]acetyl]amino]acetamide
CID 40975955
(3R)-2-(2-hydroxyethyl)-3-[2-(4-methylphenyl)-1H-indol-3-yl]-3H-isoindol-1-one
CID 97038382
3-[(1R)-1-[2-(4-methylphenyl)-1H-indol-3-yl]-3-oxo-1H-isoindol-2-yl]propanamide
CID 40932220
2-[[2-[(1R)-3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetyl]amino]acetamide
CID 41002856
(3S)-3-[2-(4-methylphenyl)-1H-indol-3-yl]-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3H-isoindol-1-one
CID 28523344

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1R)-1-(2-naphthalen-2-yl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetate?
The IUPAC name of methyl 2-[(1R)-1-(2-naphthalen-2-yl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetate (CID 41002685) is methyl 2-[(1R)-1-(2-naphthalen-2-yl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetate.
What is the SMILES notation for methyl 2-[(1R)-1-(2-naphthalen-2-yl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetate?
The canonical SMILES for methyl 2-[(1R)-1-(2-naphthalen-2-yl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetate is COC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12.
What is the InChIKey of methyl 2-[(1R)-1-(2-naphthalen-2-yl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetate?
The InChIKey is OFQNAXSYPWTZJA-MUUNZHRXSA-N. The full InChI is InChI=1S/C29H22N2O3/c1-34-25(32)17-31-28(21-10-4-5-11-22(21)29(31)33)26-23-12-6-7-13-24(23)30-27(26)20-15-14-18-8-2-3-9-19(18)16-20/h2-16,28,30H,17H2,1H3/t28-/m1/s1.
What are the key properties of methyl 2-[(1R)-1-(2-naphthalen-2-yl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetate?
methyl 2-[(1R)-1-(2-naphthalen-2-yl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetate has a molecular weight of 446.51 g/mol, XLogP of 5.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1R)-1-(2-naphthalen-2-yl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetate is sourced from PubChem (CID 41002685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).