[4-(2-oxopyrrolidin-1-yl)phenyl] 6-methoxy-1H-indole-2-carboxylate

C20H18N2O4 — CID 51117028

IUPAC[4-(2-oxopyrrolidin-1-yl)phenyl] 6-methoxy-1H-indole-2-carboxylate
SMILESCOc1ccc2cc(C(=O)Oc3ccc(N4CCCC4=O)cc3)[nH]c2c1
InChIInChI=1S/C20H18N2O4/c1-25-16-7-4-13-11-18(21-17(13)12-16)20(24)26-15-8-5-14(6-9-15)22-10-2-3-19(22)23/h4-9,11-12,21H,2-3,10H2,1H3
InChIKeyXQSQWUCJAVWQGT-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.52
Rot. Bonds4

About [4-(2-oxopyrrolidin-1-yl)phenyl] 6-methoxy-1H-indole-2-carboxylate

[4-(2-oxopyrrolidin-1-yl)phenyl] 6-methoxy-1H-indole-2-carboxylate (PubChem CID 51117028) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is [4-(2-oxopyrrolidin-1-yl)phenyl] 6-methoxy-1H-indole-2-carboxylate.

Molecular Properties

Compound Name[4-(2-oxopyrrolidin-1-yl)phenyl] 6-methoxy-1H-indole-2-carboxylate
PubChem CID51117028
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name[4-(2-oxopyrrolidin-1-yl)phenyl] 6-methoxy-1H-indole-2-carboxylate
SMILESCOc1ccc2cc(C(=O)Oc3ccc(N4CCCC4=O)cc3)[nH]c2c1
InChIInChI=1S/C20H18N2O4/c1-25-16-7-4-13-11-18(21-17(13)12-16)20(24)26-15-8-5-14(6-9-15)22-10-2-3-19(22)23/h4-9,11-12,21H,2-3,10H2,1H3
InChIKeyXQSQWUCJAVWQGT-UHFFFAOYSA-N
XLogP3.52
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)azepan-2-one
CID 66742326
6-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide
CID 4908880
(6-methoxy-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 4909282
[4-(2-oxopyrrolidin-1-yl)phenyl] 5-methyl-1,2-oxazole-3-carboxylate
CID 51218356
[4-(2-oxopyrrolidin-1-yl)phenyl] 3-(2-chlorophenyl)-1H-pyrazole-5-carboxylate
CID 51114000
N-(4-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9412020
[4-(2-oxopyrrolidin-1-yl)phenyl] 5-fluoro-2-methylbenzoate
CID 33089114
[4-(2-oxopyrrolidin-1-yl)phenyl] furan-3-carboxylate
CID 34144593
N-(4-methoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9042283
N-(2,5-dimethoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 17416795
N-[(4-methoxyphenyl)methyl]-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 51240858
1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094

Frequently Asked Questions

What is the IUPAC name of [4-(2-oxopyrrolidin-1-yl)phenyl] 6-methoxy-1H-indole-2-carboxylate?
The IUPAC name of [4-(2-oxopyrrolidin-1-yl)phenyl] 6-methoxy-1H-indole-2-carboxylate (CID 51117028) is [4-(2-oxopyrrolidin-1-yl)phenyl] 6-methoxy-1H-indole-2-carboxylate.
What is the SMILES notation for [4-(2-oxopyrrolidin-1-yl)phenyl] 6-methoxy-1H-indole-2-carboxylate?
The canonical SMILES for [4-(2-oxopyrrolidin-1-yl)phenyl] 6-methoxy-1H-indole-2-carboxylate is COc1ccc2cc(C(=O)Oc3ccc(N4CCCC4=O)cc3)[nH]c2c1.
What is the InChIKey of [4-(2-oxopyrrolidin-1-yl)phenyl] 6-methoxy-1H-indole-2-carboxylate?
The InChIKey is XQSQWUCJAVWQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-25-16-7-4-13-11-18(21-17(13)12-16)20(24)26-15-8-5-14(6-9-15)22-10-2-3-19(22)23/h4-9,11-12,21H,2-3,10H2,1H3.
What are the key properties of [4-(2-oxopyrrolidin-1-yl)phenyl] 6-methoxy-1H-indole-2-carboxylate?
[4-(2-oxopyrrolidin-1-yl)phenyl] 6-methoxy-1H-indole-2-carboxylate has a molecular weight of 350.37 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-oxopyrrolidin-1-yl)phenyl] 6-methoxy-1H-indole-2-carboxylate is sourced from PubChem (CID 51117028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).