methyl 2-[[4-[(6-methoxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoyl]amino]acetate

C21H19N3O6 — CID 154773914

IUPACmethyl 2-[[4-[(6-methoxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(NC(=O)c2cc3cc(OC)ccc3[nH]c2=O)cc1
InChIInChI=1S/C21H19N3O6/c1-29-15-7-8-17-13(9-15)10-16(21(28)24-17)20(27)23-14-5-3-12(4-6-14)19(26)22-11-18(25)30-2/h3-10H,11H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)
InChIKeyYUZLINICKLGPRR-UHFFFAOYSA-N
MW409.40 g/mol
LogP1.69
Rot. Bonds6

About methyl 2-[[4-[(6-methoxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoyl]amino]acetate

methyl 2-[[4-[(6-methoxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoyl]amino]acetate (PubChem CID 154773914) has the molecular formula C21H19N3O6 and a molecular weight of 409.40 g/mol. Its IUPAC name is methyl 2-[[4-[(6-methoxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-[(6-methoxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoyl]amino]acetate
PubChem CID154773914
Molecular FormulaC21H19N3O6
Molecular Weight409.40 g/mol
Exact Mass409.13
IUPAC Namemethyl 2-[[4-[(6-methoxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(NC(=O)c2cc3cc(OC)ccc3[nH]c2=O)cc1
InChIInChI=1S/C21H19N3O6/c1-29-15-7-8-17-13(9-15)10-16(21(28)24-17)20(27)23-14-5-3-12(4-6-14)19(26)22-11-18(25)30-2/h3-10H,11H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)
InChIKeyYUZLINICKLGPRR-UHFFFAOYSA-N
XLogP1.69
TPSA126.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[4-[(6-methoxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoyl]amino]acetate with MolForge

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Related Compounds

methyl 2-[[4-[(4-fluorobenzoyl)amino]benzoyl]amino]acetate
CID 9049144
N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzamide
CID 110326012
5-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
CID 11067605
methyl 2-[[4-[(2,5-dichlorobenzoyl)amino]benzoyl]amino]acetate
CID 46828283
methyl 2-[[4-[[1-(3-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]benzoyl]amino]acetate
CID 39678474
2-[[4-[(2-amino-4-methoxybenzoyl)amino]benzoyl]amino]acetic acid
CID 110452010
N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110326009
N-[(2,3-dimethylphenyl)methyl]-6-methoxy-2-oxo-1H-quinoline-3-carboxamide
CID 167894443
6-(2-methoxyethoxy)-N-[4-(1,4-oxazepane-4-carbonyl)phenyl]-2-oxo-1H-quinoline-3-carboxamide
CID 172574365
methyl 2-[[4-[(4-iodobenzoyl)amino]benzoyl]amino]acetate
CID 46828278
tert-butyl 2-[(4-methoxybenzoyl)amino]acetate
CID 135045716
N-ethyl-4-[(4-methoxybenzoyl)amino]benzamide
CID 17234279

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[(6-methoxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoyl]amino]acetate?
The IUPAC name of methyl 2-[[4-[(6-methoxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoyl]amino]acetate (CID 154773914) is methyl 2-[[4-[(6-methoxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[4-[(6-methoxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoyl]amino]acetate?
The canonical SMILES for methyl 2-[[4-[(6-methoxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoyl]amino]acetate is COC(=O)CNC(=O)c1ccc(NC(=O)c2cc3cc(OC)ccc3[nH]c2=O)cc1.
What is the InChIKey of methyl 2-[[4-[(6-methoxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoyl]amino]acetate?
The InChIKey is YUZLINICKLGPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O6/c1-29-15-7-8-17-13(9-15)10-16(21(28)24-17)20(27)23-14-5-3-12(4-6-14)19(26)22-11-18(25)30-2/h3-10H,11H2,1-2H3,(H,22,26)(H,23,27)(H,24,28).
What are the key properties of methyl 2-[[4-[(6-methoxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoyl]amino]acetate?
methyl 2-[[4-[(6-methoxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoyl]amino]acetate has a molecular weight of 409.40 g/mol, XLogP of 1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[(6-methoxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoyl]amino]acetate is sourced from PubChem (CID 154773914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).