4-methoxy-3-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methyl-1H-indole

C18H26N2O2 — CID 178091725

IUPAC4-methoxy-3-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methyl-1H-indole
SMILESCOCCN1CCC[C@@H]1Cc1c(C)[nH]c2cccc(OC)c12
InChIInChI=1S/C18H26N2O2/c1-13-15(12-14-6-5-9-20(14)10-11-21-2)18-16(19-13)7-4-8-17(18)22-3/h4,7-8,14,19H,5-6,9-12H2,1-3H3/t14-/m1/s1
InChIKeyFGHQXOYUVKUINL-CQSZACIVSA-N
MW302.42 g/mol
LogP3.14
Rot. Bonds6

About 4-methoxy-3-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methyl-1H-indole

4-methoxy-3-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methyl-1H-indole (PubChem CID 178091725) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-methoxy-3-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methyl-1H-indole.

Molecular Properties

Compound Name4-methoxy-3-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methyl-1H-indole
PubChem CID178091725
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name4-methoxy-3-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methyl-1H-indole
SMILESCOCCN1CCC[C@@H]1Cc1c(C)[nH]c2cccc(OC)c12
InChIInChI=1S/C18H26N2O2/c1-13-15(12-14-6-5-9-20(14)10-11-21-2)18-16(19-13)7-4-8-17(18)22-3/h4,7-8,14,19H,5-6,9-12H2,1-3H3/t14-/m1/s1
InChIKeyFGHQXOYUVKUINL-CQSZACIVSA-N
XLogP3.14
TPSA37.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methyl-1H-indole?
The IUPAC name of 4-methoxy-3-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methyl-1H-indole (CID 178091725) is 4-methoxy-3-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methyl-1H-indole.
What is the SMILES notation for 4-methoxy-3-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methyl-1H-indole?
The canonical SMILES for 4-methoxy-3-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methyl-1H-indole is COCCN1CCC[C@@H]1Cc1c(C)[nH]c2cccc(OC)c12.
What is the InChIKey of 4-methoxy-3-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methyl-1H-indole?
The InChIKey is FGHQXOYUVKUINL-CQSZACIVSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13-15(12-14-6-5-9-20(14)10-11-21-2)18-16(19-13)7-4-8-17(18)22-3/h4,7-8,14,19H,5-6,9-12H2,1-3H3/t14-/m1/s1.
What are the key properties of 4-methoxy-3-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methyl-1H-indole?
4-methoxy-3-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methyl-1H-indole has a molecular weight of 302.42 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methyl-1H-indole is sourced from PubChem (CID 178091725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).