3-[[2-(2-methylquinoline-4-carbonyl)oxyacetyl]amino]benzoic acid

C20H16N2O5 — CID 23913779

IUPAC3-[[2-(2-methylquinoline-4-carbonyl)oxyacetyl]amino]benzoic acid
SMILESCc1cc(C(=O)OCC(=O)Nc2cccc(C(=O)O)c2)c2ccccc2n1
InChIInChI=1S/C20H16N2O5/c1-12-9-16(15-7-2-3-8-17(15)21-12)20(26)27-11-18(23)22-14-6-4-5-13(10-14)19(24)25/h2-10H,11H2,1H3,(H,22,23)(H,24,25)
InChIKeyYJVDHLWEDAENDX-UHFFFAOYSA-N
MW364.36 g/mol
LogP3.04
Rot. Bonds5

About 3-[[2-(2-methylquinoline-4-carbonyl)oxyacetyl]amino]benzoic acid

3-[[2-(2-methylquinoline-4-carbonyl)oxyacetyl]amino]benzoic acid (PubChem CID 23913779) has the molecular formula C20H16N2O5 and a molecular weight of 364.36 g/mol. Its IUPAC name is 3-[[2-(2-methylquinoline-4-carbonyl)oxyacetyl]amino]benzoic acid.

Molecular Properties

Compound Name3-[[2-(2-methylquinoline-4-carbonyl)oxyacetyl]amino]benzoic acid
PubChem CID23913779
Molecular FormulaC20H16N2O5
Molecular Weight364.36 g/mol
Exact Mass364.11
IUPAC Name3-[[2-(2-methylquinoline-4-carbonyl)oxyacetyl]amino]benzoic acid
SMILESCc1cc(C(=O)OCC(=O)Nc2cccc(C(=O)O)c2)c2ccccc2n1
InChIInChI=1S/C20H16N2O5/c1-12-9-16(15-7-2-3-8-17(15)21-12)20(26)27-11-18(23)22-14-6-4-5-13(10-14)19(24)25/h2-10H,11H2,1H3,(H,22,23)(H,24,25)
InChIKeyYJVDHLWEDAENDX-UHFFFAOYSA-N
XLogP3.04
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-methoxyanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2484557
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2484633
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2484664
[2-(2-cyanoanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2454944
[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 845169
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 7648710
[2-(butan-2-ylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 18074137
[2-(3-fluoroanilino)-2-oxoethyl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 7825012
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 7351421
[2-(2,4-dibromoanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2105198
[2-oxo-2-(prop-2-ynylamino)ethyl] 2-methylquinoline-4-carboxylate
CID 8577430
[2-(3-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 17261984

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-methylquinoline-4-carbonyl)oxyacetyl]amino]benzoic acid?
The IUPAC name of 3-[[2-(2-methylquinoline-4-carbonyl)oxyacetyl]amino]benzoic acid (CID 23913779) is 3-[[2-(2-methylquinoline-4-carbonyl)oxyacetyl]amino]benzoic acid.
What is the SMILES notation for 3-[[2-(2-methylquinoline-4-carbonyl)oxyacetyl]amino]benzoic acid?
The canonical SMILES for 3-[[2-(2-methylquinoline-4-carbonyl)oxyacetyl]amino]benzoic acid is Cc1cc(C(=O)OCC(=O)Nc2cccc(C(=O)O)c2)c2ccccc2n1.
What is the InChIKey of 3-[[2-(2-methylquinoline-4-carbonyl)oxyacetyl]amino]benzoic acid?
The InChIKey is YJVDHLWEDAENDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O5/c1-12-9-16(15-7-2-3-8-17(15)21-12)20(26)27-11-18(23)22-14-6-4-5-13(10-14)19(24)25/h2-10H,11H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 3-[[2-(2-methylquinoline-4-carbonyl)oxyacetyl]amino]benzoic acid?
3-[[2-(2-methylquinoline-4-carbonyl)oxyacetyl]amino]benzoic acid has a molecular weight of 364.36 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-methylquinoline-4-carbonyl)oxyacetyl]amino]benzoic acid is sourced from PubChem (CID 23913779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).