[2-oxo-2-(quinolin-5-ylamino)ethyl] naphthalene-2-carboxylate

C22H16N2O3 — CID 17485524

IUPAC[2-oxo-2-(quinolin-5-ylamino)ethyl] naphthalene-2-carboxylate
SMILESO=C(COC(=O)c1ccc2ccccc2c1)Nc1cccc2ncccc12
InChIInChI=1S/C22H16N2O3/c25-21(24-20-9-3-8-19-18(20)7-4-12-23-19)14-27-22(26)17-11-10-15-5-1-2-6-16(15)13-17/h1-13H,14H2,(H,24,25)
InChIKeyORIGZSTYETZYFX-UHFFFAOYSA-N
MW356.38 g/mol
LogP4.18
Rot. Bonds4

About [2-oxo-2-(quinolin-5-ylamino)ethyl] naphthalene-2-carboxylate

[2-oxo-2-(quinolin-5-ylamino)ethyl] naphthalene-2-carboxylate (PubChem CID 17485524) has the molecular formula C22H16N2O3 and a molecular weight of 356.38 g/mol. Its IUPAC name is [2-oxo-2-(quinolin-5-ylamino)ethyl] naphthalene-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(quinolin-5-ylamino)ethyl] naphthalene-2-carboxylate
PubChem CID17485524
Molecular FormulaC22H16N2O3
Molecular Weight356.38 g/mol
Exact Mass356.12
IUPAC Name[2-oxo-2-(quinolin-5-ylamino)ethyl] naphthalene-2-carboxylate
SMILESO=C(COC(=O)c1ccc2ccccc2c1)Nc1cccc2ncccc12
InChIInChI=1S/C22H16N2O3/c25-21(24-20-9-3-8-19-18(20)7-4-12-23-19)14-27-22(26)17-11-10-15-5-1-2-6-16(15)13-17/h1-13H,14H2,(H,24,25)
InChIKeyORIGZSTYETZYFX-UHFFFAOYSA-N
XLogP4.18
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(quinolin-5-ylamino)ethyl] 4-methoxybenzoate
CID 41332969
[2-oxo-2-(quinolin-5-ylamino)ethyl] 3,5-dimethylbenzoate
CID 41352483
[2-oxo-2-(quinolin-5-ylamino)ethyl] 4-methyl-3-nitrobenzoate
CID 41353083
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-carbamoylbenzoate
CID 30799825
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-chlorobenzoate
CID 2629383
2-(4-chlorophenoxy)-N-quinolin-5-ylacetamide
CID 952570
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] naphthalene-2-carboxylate
CID 7698478
[2-oxo-2-(quinolin-5-ylamino)ethyl] 5,7-dimethoxy-1H-indole-2-carboxylate
CID 46543109
[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386534
2-(2,3-dihydro-1H-inden-5-yloxy)-N-quinolin-5-ylacetamide
CID 3531115
[2-(2,4-dimethylanilino)-2-oxoethyl] naphthalene-2-carboxylate
CID 7980751
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-formylbenzoate
CID 2427225

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(quinolin-5-ylamino)ethyl] naphthalene-2-carboxylate?
The IUPAC name of [2-oxo-2-(quinolin-5-ylamino)ethyl] naphthalene-2-carboxylate (CID 17485524) is [2-oxo-2-(quinolin-5-ylamino)ethyl] naphthalene-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(quinolin-5-ylamino)ethyl] naphthalene-2-carboxylate?
The canonical SMILES for [2-oxo-2-(quinolin-5-ylamino)ethyl] naphthalene-2-carboxylate is O=C(COC(=O)c1ccc2ccccc2c1)Nc1cccc2ncccc12.
What is the InChIKey of [2-oxo-2-(quinolin-5-ylamino)ethyl] naphthalene-2-carboxylate?
The InChIKey is ORIGZSTYETZYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O3/c25-21(24-20-9-3-8-19-18(20)7-4-12-23-19)14-27-22(26)17-11-10-15-5-1-2-6-16(15)13-17/h1-13H,14H2,(H,24,25).
What are the key properties of [2-oxo-2-(quinolin-5-ylamino)ethyl] naphthalene-2-carboxylate?
[2-oxo-2-(quinolin-5-ylamino)ethyl] naphthalene-2-carboxylate has a molecular weight of 356.38 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(quinolin-5-ylamino)ethyl] naphthalene-2-carboxylate is sourced from PubChem (CID 17485524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).