methyl 3-[(2-quinolin-6-yloxyacetyl)amino]benzoate

C19H16N2O4 — CID 112978710

IUPACmethyl 3-[(2-quinolin-6-yloxyacetyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)COc2ccc3ncccc3c2)c1
InChIInChI=1S/C19H16N2O4/c1-24-19(23)14-4-2-6-15(10-14)21-18(22)12-25-16-7-8-17-13(11-16)5-3-9-20-17/h2-11H,12H2,1H3,(H,21,22)
InChIKeyRTIVHXXNNXQNSX-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.04
Rot. Bonds5

About methyl 3-[(2-quinolin-6-yloxyacetyl)amino]benzoate

methyl 3-[(2-quinolin-6-yloxyacetyl)amino]benzoate (PubChem CID 112978710) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is methyl 3-[(2-quinolin-6-yloxyacetyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(2-quinolin-6-yloxyacetyl)amino]benzoate
PubChem CID112978710
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Namemethyl 3-[(2-quinolin-6-yloxyacetyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)COc2ccc3ncccc3c2)c1
InChIInChI=1S/C19H16N2O4/c1-24-19(23)14-4-2-6-15(10-14)21-18(22)12-25-16-7-8-17-13(11-16)5-3-9-20-17/h2-11H,12H2,1H3,(H,21,22)
InChIKeyRTIVHXXNNXQNSX-UHFFFAOYSA-N
XLogP3.04
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-3-[(2-quinolin-6-yloxyacetyl)amino]benzamide
CID 60595070
N-(4-methoxyphenyl)-2-quinolin-6-yloxyacetamide
CID 112978693
N-(3-chloro-4-methylphenyl)-2-quinolin-6-yloxyacetamide
CID 112978684
N-(4-bromo-3-methylphenyl)-2-quinolin-6-yloxyacetamide
CID 112978729
methyl 3-[[2-(4-benzoylphenoxy)acetyl]amino]benzoate
CID 2592757
methyl 3-[[2-(3-tert-butylphenoxy)acetyl]amino]benzoate
CID 112977645
N-(1,3-benzodioxol-5-yl)-2-quinolin-6-yloxyacetamide
CID 112978730
methyl 3-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 730025
methyl 3-[2-[3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]ethynyl]benzoate
CID 18290502
methyl 3-[[3-oxo-3-(quinolin-8-ylamino)propanoyl]amino]benzoate
CID 108956340
N-(2-methoxyethyl)-2-quinolin-6-yloxyacetamide
CID 47453984
3-[(2-naphthalen-2-yloxyacetyl)amino]benzoate
CID 6967346

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-quinolin-6-yloxyacetyl)amino]benzoate?
The IUPAC name of methyl 3-[(2-quinolin-6-yloxyacetyl)amino]benzoate (CID 112978710) is methyl 3-[(2-quinolin-6-yloxyacetyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(2-quinolin-6-yloxyacetyl)amino]benzoate?
The canonical SMILES for methyl 3-[(2-quinolin-6-yloxyacetyl)amino]benzoate is COC(=O)c1cccc(NC(=O)COc2ccc3ncccc3c2)c1.
What is the InChIKey of methyl 3-[(2-quinolin-6-yloxyacetyl)amino]benzoate?
The InChIKey is RTIVHXXNNXQNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-24-19(23)14-4-2-6-15(10-14)21-18(22)12-25-16-7-8-17-13(11-16)5-3-9-20-17/h2-11H,12H2,1H3,(H,21,22).
What are the key properties of methyl 3-[(2-quinolin-6-yloxyacetyl)amino]benzoate?
methyl 3-[(2-quinolin-6-yloxyacetyl)amino]benzoate has a molecular weight of 336.35 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-quinolin-6-yloxyacetyl)amino]benzoate is sourced from PubChem (CID 112978710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).