[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-methoxynaphthalene-1-carboxylate

C22H17NO5 — CID 8597204

IUPAC[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-methoxynaphthalene-1-carboxylate
SMILESCOc1ccc(C(=O)OCC(=O)c2ccc3c(c2)CC(=O)N3)c2ccccc12
InChIInChI=1S/C22H17NO5/c1-27-20-9-7-17(15-4-2-3-5-16(15)20)22(26)28-12-19(24)13-6-8-18-14(10-13)11-21(25)23-18/h2-10H,11-12H2,1H3,(H,23,25)
InChIKeyQKYFMNHGLOXSSS-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.38
Rot. Bonds5

About [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-methoxynaphthalene-1-carboxylate

[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-methoxynaphthalene-1-carboxylate (PubChem CID 8597204) has the molecular formula C22H17NO5 and a molecular weight of 375.38 g/mol. Its IUPAC name is [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-methoxynaphthalene-1-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-methoxynaphthalene-1-carboxylate
PubChem CID8597204
Molecular FormulaC22H17NO5
Molecular Weight375.38 g/mol
Exact Mass375.11
IUPAC Name[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-methoxynaphthalene-1-carboxylate
SMILESCOc1ccc(C(=O)OCC(=O)c2ccc3c(c2)CC(=O)N3)c2ccccc12
InChIInChI=1S/C22H17NO5/c1-27-20-9-7-17(15-4-2-3-5-16(15)20)22(26)28-12-19(24)13-6-8-18-14(10-13)11-21(25)23-18/h2-10H,11-12H2,1H3,(H,23,25)
InChIKeyQKYFMNHGLOXSSS-UHFFFAOYSA-N
XLogP3.38
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8597334
[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 2,4-dichlorobenzoate
CID 9487869
[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-bromo-2-fluorobenzoate
CID 9388030
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 16523919
[2-(2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596344
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-ethoxy-4-methoxybenzoate
CID 9484719
N-[(2-methoxyphenyl)methyl]-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 110344820
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 55366832
[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] (2S)-2-benzamidopropanoate
CID 8753386
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8597308
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3,5-dichloro-4-methoxybenzoate
CID 9126270
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 23990915

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-methoxynaphthalene-1-carboxylate?
The IUPAC name of [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-methoxynaphthalene-1-carboxylate (CID 8597204) is [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-methoxynaphthalene-1-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-methoxynaphthalene-1-carboxylate?
The canonical SMILES for [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-methoxynaphthalene-1-carboxylate is COc1ccc(C(=O)OCC(=O)c2ccc3c(c2)CC(=O)N3)c2ccccc12.
What is the InChIKey of [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-methoxynaphthalene-1-carboxylate?
The InChIKey is QKYFMNHGLOXSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO5/c1-27-20-9-7-17(15-4-2-3-5-16(15)20)22(26)28-12-19(24)13-6-8-18-14(10-13)11-21(25)23-18/h2-10H,11-12H2,1H3,(H,23,25).
What are the key properties of [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-methoxynaphthalene-1-carboxylate?
[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-methoxynaphthalene-1-carboxylate has a molecular weight of 375.38 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-methoxynaphthalene-1-carboxylate is sourced from PubChem (CID 8597204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).