(4-methoxyphenyl)-[2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]indol-3-yl]methanone

C23H26N2O2 — CID 15015392

IUPAC(4-methoxyphenyl)-[2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]indol-3-yl]methanone
SMILESCOc1ccc(C(=O)c2c(C)n(CC3CCCN3C)c3ccccc23)cc1
InChIInChI=1S/C23H26N2O2/c1-16-22(23(26)17-10-12-19(27-3)13-11-17)20-8-4-5-9-21(20)25(16)15-18-7-6-14-24(18)2/h4-5,8-13,18H,6-7,14-15H2,1-3H3
InChIKeyZSUIOMKJDWYWBQ-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.28
Rot. Bonds5

About (4-methoxyphenyl)-[2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]indol-3-yl]methanone

(4-methoxyphenyl)-[2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]indol-3-yl]methanone (PubChem CID 15015392) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is (4-methoxyphenyl)-[2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]indol-3-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]indol-3-yl]methanone
PubChem CID15015392
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name(4-methoxyphenyl)-[2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]indol-3-yl]methanone
SMILESCOc1ccc(C(=O)c2c(C)n(CC3CCCN3C)c3ccccc23)cc1
InChIInChI=1S/C23H26N2O2/c1-16-22(23(26)17-10-12-19(27-3)13-11-17)20-8-4-5-9-21(20)25(16)15-18-7-6-14-24(18)2/h4-5,8-13,18H,6-7,14-15H2,1-3H3
InChIKeyZSUIOMKJDWYWBQ-UHFFFAOYSA-N
XLogP4.28
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]indol-3-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]indol-3-yl]methanone (CID 15015392) is (4-methoxyphenyl)-[2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]indol-3-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]indol-3-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]indol-3-yl]methanone is COc1ccc(C(=O)c2c(C)n(CC3CCCN3C)c3ccccc23)cc1.
What is the InChIKey of (4-methoxyphenyl)-[2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]indol-3-yl]methanone?
The InChIKey is ZSUIOMKJDWYWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-16-22(23(26)17-10-12-19(27-3)13-11-17)20-8-4-5-9-21(20)25(16)15-18-7-6-14-24(18)2/h4-5,8-13,18H,6-7,14-15H2,1-3H3.
What are the key properties of (4-methoxyphenyl)-[2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]indol-3-yl]methanone?
(4-methoxyphenyl)-[2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]indol-3-yl]methanone has a molecular weight of 362.47 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]indol-3-yl]methanone is sourced from PubChem (CID 15015392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).