3-(1H-indol-3-yl)-4-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]pyrrole-2,5-dione

C28H30N2O4 — CID 150684800

IUPAC3-(1H-indol-3-yl)-4-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]pyrrole-2,5-dione
SMILESCC(C)(C)OCCOc1cc2c(c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c1)CCCC2
InChIInChI=1S/C28H30N2O4/c1-28(2,3)34-13-12-33-18-14-17-8-4-5-9-19(17)21(15-18)24-25(27(32)30-26(24)31)22-16-29-23-11-7-6-10-20(22)23/h6-7,10-11,14-16,29H,4-5,8-9,12-13H2,1-3H3,(H,30,31,32)
InChIKeyJIPXZHRCLXQUQK-UHFFFAOYSA-N
MW458.56 g/mol
LogP4.81
Rot. Bonds6

About 3-(1H-indol-3-yl)-4-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]pyrrole-2,5-dione

3-(1H-indol-3-yl)-4-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]pyrrole-2,5-dione (PubChem CID 150684800) has the molecular formula C28H30N2O4 and a molecular weight of 458.56 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-4-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-4-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]pyrrole-2,5-dione
PubChem CID150684800
Molecular FormulaC28H30N2O4
Molecular Weight458.56 g/mol
Exact Mass458.22
IUPAC Name3-(1H-indol-3-yl)-4-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]pyrrole-2,5-dione
SMILESCC(C)(C)OCCOc1cc2c(c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c1)CCCC2
InChIInChI=1S/C28H30N2O4/c1-28(2,3)34-13-12-33-18-14-17-8-4-5-9-19(17)21(15-18)24-25(27(32)30-26(24)31)22-16-29-23-11-7-6-10-20(22)23/h6-7,10-11,14-16,29H,4-5,8-9,12-13H2,1-3H3,(H,30,31,32)
InChIKeyJIPXZHRCLXQUQK-UHFFFAOYSA-N
XLogP4.81
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(3-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione;N-methylmethanamine
CID 142139866
3-(1H-indol-3-yl)-4-(6-methoxy-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)pyrrole-2,5-dione
CID 22556672
3-(cycloheptylideneamino)-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 10639498
3-(6-hydroxy-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 5327725
3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione;3-(1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 161315971
3-(1H-indol-3-yl)-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione
CID 23650558
3-(1H-indol-3-yl)-4-[5-methoxy-1-(3-piperidin-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione
CID 15106759
3,4-bis(1H-indol-3-yl)pyrrole-2,5-dione;5,6-bis(4-methoxyanilino)isoindole-1,3-dione
CID 161218746
3-(1H-indol-3-yl)-4-(5-methoxy-1-benzofuran-3-yl)pyrrole-2,5-dione
CID 163360683
3-(1H-indol-3-yl)-4-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]pyrrole-2,5-dione
CID 11510801
3-[6-(2-methoxyethyl)-1H-indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 57195272
3-[6-(dimethylamino)-1-[3-(dimethylamino)-2-methoxypropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409888

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-4-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]pyrrole-2,5-dione?
The IUPAC name of 3-(1H-indol-3-yl)-4-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]pyrrole-2,5-dione (CID 150684800) is 3-(1H-indol-3-yl)-4-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(1H-indol-3-yl)-4-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]pyrrole-2,5-dione?
The canonical SMILES for 3-(1H-indol-3-yl)-4-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]pyrrole-2,5-dione is CC(C)(C)OCCOc1cc2c(c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c1)CCCC2.
What is the InChIKey of 3-(1H-indol-3-yl)-4-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]pyrrole-2,5-dione?
The InChIKey is JIPXZHRCLXQUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O4/c1-28(2,3)34-13-12-33-18-14-17-8-4-5-9-19(17)21(15-18)24-25(27(32)30-26(24)31)22-16-29-23-11-7-6-10-20(22)23/h6-7,10-11,14-16,29H,4-5,8-9,12-13H2,1-3H3,(H,30,31,32).
What are the key properties of 3-(1H-indol-3-yl)-4-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]pyrrole-2,5-dione?
3-(1H-indol-3-yl)-4-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]pyrrole-2,5-dione has a molecular weight of 458.56 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-4-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]pyrrole-2,5-dione is sourced from PubChem (CID 150684800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).