[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate

C27H27N3O4 — CID 24564830

IUPAC[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
SMILESO=C(COC(=O)c1c2c(nc3ccccc13)CCCCC2)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C27H27N3O4/c31-24(29-22-13-6-7-14-23(22)30-16-8-15-25(30)32)17-34-27(33)26-18-9-2-1-3-11-20(18)28-21-12-5-4-10-19(21)26/h4-7,10,12-14H,1-3,8-9,11,15-17H2,(H,29,31)
InChIKeyZJSKWGWIWIZLRF-UHFFFAOYSA-N
MW457.53 g/mol
LogP4.43
Rot. Bonds5

About [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate

[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate (PubChem CID 24564830) has the molecular formula C27H27N3O4 and a molecular weight of 457.53 g/mol. Its IUPAC name is [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
PubChem CID24564830
Molecular FormulaC27H27N3O4
Molecular Weight457.53 g/mol
Exact Mass457.20
IUPAC Name[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
SMILESO=C(COC(=O)c1c2c(nc3ccccc13)CCCCC2)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C27H27N3O4/c31-24(29-22-13-6-7-14-23(22)30-16-8-15-25(30)32)17-34-27(33)26-18-9-2-1-3-11-20(18)28-21-12-5-4-10-19(21)26/h4-7,10,12-14H,1-3,8-9,11,15-17H2,(H,29,31)
InChIKeyZJSKWGWIWIZLRF-UHFFFAOYSA-N
XLogP4.43
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 46668677
[2-(2-methylanilino)-2-oxoethyl] 6,7,8,9,10,11-hexahydrocycloocta[b]quinoline-12-carboxylate
CID 23829628
[2-(2-chloroanilino)-2-oxoethyl] 6,7,8,9,10,11-hexahydrocycloocta[b]quinoline-12-carboxylate
CID 23771581
[2-oxo-2-(2-phenylanilino)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 16533544
[2-(2-ethoxyanilino)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2335274
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 7839935
[2-(2-cyanoanilino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 2417801
[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 23884896
[2-(4-chloroanilino)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2335128
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
CID 5009862
[2-(4-fluoroanilino)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2335607
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 23792843

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate?
The IUPAC name of [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate (CID 24564830) is [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate.
What is the SMILES notation for [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate?
The canonical SMILES for [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate is O=C(COC(=O)c1c2c(nc3ccccc13)CCCCC2)Nc1ccccc1N1CCCC1=O.
What is the InChIKey of [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate?
The InChIKey is ZJSKWGWIWIZLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4/c31-24(29-22-13-6-7-14-23(22)30-16-8-15-25(30)32)17-34-27(33)26-18-9-2-1-3-11-20(18)28-21-12-5-4-10-19(21)26/h4-7,10,12-14H,1-3,8-9,11,15-17H2,(H,29,31).
What are the key properties of [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate?
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate has a molecular weight of 457.53 g/mol, XLogP of 4.43, 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-(2-oxopyrrolidin-1-yl)anilino]ethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate is sourced from PubChem (CID 24564830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).