methyl 2-[(2-quinazolin-4-yloxyacetyl)amino]benzoate

C18H15N3O4 — CID 2393006

IUPACmethyl 2-[(2-quinazolin-4-yloxyacetyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COc1ncnc2ccccc12
InChIInChI=1S/C18H15N3O4/c1-24-18(23)13-7-3-5-9-15(13)21-16(22)10-25-17-12-6-2-4-8-14(12)19-11-20-17/h2-9,11H,10H2,1H3,(H,21,22)
InChIKeyYWPOQNCTCXGXKJ-UHFFFAOYSA-N
MW337.34 g/mol
LogP2.43
Rot. Bonds5

About methyl 2-[(2-quinazolin-4-yloxyacetyl)amino]benzoate

methyl 2-[(2-quinazolin-4-yloxyacetyl)amino]benzoate (PubChem CID 2393006) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is methyl 2-[(2-quinazolin-4-yloxyacetyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-quinazolin-4-yloxyacetyl)amino]benzoate
PubChem CID2393006
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC Namemethyl 2-[(2-quinazolin-4-yloxyacetyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COc1ncnc2ccccc12
InChIInChI=1S/C18H15N3O4/c1-24-18(23)13-7-3-5-9-15(13)21-16(22)10-25-17-12-6-2-4-8-14(12)19-11-20-17/h2-9,11H,10H2,1H3,(H,21,22)
InChIKeyYWPOQNCTCXGXKJ-UHFFFAOYSA-N
XLogP2.43
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-2-quinazolin-4-yloxyacetamide
CID 2392933
N-(3,5-dimethoxyphenyl)-2-quinazolin-4-yloxyacetamide
CID 2375476
methyl 2-[(2-quinazolin-4-ylbenzoyl)amino]benzoate
CID 23738654
methyl 2-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 836161
ethyl N-(2-quinazolin-4-yloxyacetyl)carbamate
CID 2630697
N-(4-bromo-3-methylphenyl)-2-quinazolin-4-yloxyacetamide
CID 2706655
methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]benzoate
CID 721359
methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]benzoate
CID 1183013
2-quinazolin-4-yloxy-N-(2,2,2-trifluoroethyl)acetamide
CID 2457069
ethyl 5-acetyl-4-methyl-2-[(2-quinazolin-4-yloxyacetyl)amino]thiophene-3-carboxylate
CID 2086114
diethyl 3-methyl-5-[(2-quinazolin-4-yloxyacetyl)amino]thiophene-2,4-dicarboxylate
CID 2383327
N-(2,3-dimethyl-6-nitrophenyl)-2-quinazolin-4-yloxyacetamide
CID 7998135

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-quinazolin-4-yloxyacetyl)amino]benzoate?
The IUPAC name of methyl 2-[(2-quinazolin-4-yloxyacetyl)amino]benzoate (CID 2393006) is methyl 2-[(2-quinazolin-4-yloxyacetyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(2-quinazolin-4-yloxyacetyl)amino]benzoate?
The canonical SMILES for methyl 2-[(2-quinazolin-4-yloxyacetyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)COc1ncnc2ccccc12.
What is the InChIKey of methyl 2-[(2-quinazolin-4-yloxyacetyl)amino]benzoate?
The InChIKey is YWPOQNCTCXGXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4/c1-24-18(23)13-7-3-5-9-15(13)21-16(22)10-25-17-12-6-2-4-8-14(12)19-11-20-17/h2-9,11H,10H2,1H3,(H,21,22).
What are the key properties of methyl 2-[(2-quinazolin-4-yloxyacetyl)amino]benzoate?
methyl 2-[(2-quinazolin-4-yloxyacetyl)amino]benzoate has a molecular weight of 337.34 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-quinazolin-4-yloxyacetyl)amino]benzoate is sourced from PubChem (CID 2393006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).