[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-(tetrazol-1-yl)benzoate

C19H15N5O4 — CID 55366310

IUPAC[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-(tetrazol-1-yl)benzoate
SMILESO=C1CCc2cc(C(=O)COC(=O)c3cccc(-n4cnnn4)c3)ccc2N1
InChIInChI=1S/C19H15N5O4/c25-17(13-4-6-16-12(8-13)5-7-18(26)21-16)10-28-19(27)14-2-1-3-15(9-14)24-11-20-22-23-24/h1-4,6,8-9,11H,5,7,10H2,(H,21,26)
InChIKeyGBXBAPSXWMMGAD-UHFFFAOYSA-N
MW377.36 g/mol
LogP1.59
Rot. Bonds5

About [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-(tetrazol-1-yl)benzoate

[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-(tetrazol-1-yl)benzoate (PubChem CID 55366310) has the molecular formula C19H15N5O4 and a molecular weight of 377.36 g/mol. Its IUPAC name is [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-(tetrazol-1-yl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-(tetrazol-1-yl)benzoate
PubChem CID55366310
Molecular FormulaC19H15N5O4
Molecular Weight377.36 g/mol
Exact Mass377.11
IUPAC Name[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-(tetrazol-1-yl)benzoate
SMILESO=C1CCc2cc(C(=O)COC(=O)c3cccc(-n4cnnn4)c3)ccc2N1
InChIInChI=1S/C19H15N5O4/c25-17(13-4-6-16-12(8-13)5-7-18(26)21-16)10-28-19(27)14-2-1-3-15(9-14)24-11-20-22-23-24/h1-4,6,8-9,11H,5,7,10H2,(H,21,26)
InChIKeyGBXBAPSXWMMGAD-UHFFFAOYSA-N
XLogP1.59
TPSA116.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-(tetrazol-1-yl)benzoate with MolForge

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Related Compounds

[2-(3,4-difluorophenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
CID 30431324
[2-oxo-2-(4-propan-2-ylphenyl)ethyl] 3-(tetrazol-1-yl)benzoate
CID 41195211
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-ethoxy-4-methoxybenzoate
CID 9484719
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4-[ethyl(methyl)amino]benzoate
CID 71884386
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
CID 41195394
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3,5-dichloro-4-methoxybenzoate
CID 9126270
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate
CID 55499851
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4-(acetamidomethyl)benzoate
CID 46818941
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 46812376
(2-morpholin-4-yl-2-oxoethyl) 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 18101051
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 18101061
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
CID 42405028

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-(tetrazol-1-yl)benzoate?
The IUPAC name of [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-(tetrazol-1-yl)benzoate (CID 55366310) is [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-(tetrazol-1-yl)benzoate.
What is the SMILES notation for [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-(tetrazol-1-yl)benzoate?
The canonical SMILES for [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-(tetrazol-1-yl)benzoate is O=C1CCc2cc(C(=O)COC(=O)c3cccc(-n4cnnn4)c3)ccc2N1.
What is the InChIKey of [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-(tetrazol-1-yl)benzoate?
The InChIKey is GBXBAPSXWMMGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O4/c25-17(13-4-6-16-12(8-13)5-7-18(26)21-16)10-28-19(27)14-2-1-3-15(9-14)24-11-20-22-23-24/h1-4,6,8-9,11H,5,7,10H2,(H,21,26).
What are the key properties of [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-(tetrazol-1-yl)benzoate?
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-(tetrazol-1-yl)benzoate has a molecular weight of 377.36 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-(tetrazol-1-yl)benzoate is sourced from PubChem (CID 55366310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).