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

C23H17N3O3 — CID 23738654

IUPACmethyl 2-[(2-quinazolin-4-ylbenzoyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccccc1-c1ncnc2ccccc12
InChIInChI=1S/C23H17N3O3/c1-29-23(28)18-11-5-7-13-20(18)26-22(27)16-9-3-2-8-15(16)21-17-10-4-6-12-19(17)24-14-25-21/h2-14H,1H3,(H,26,27)
InChIKeyCLYPQHAXIBTVDI-UHFFFAOYSA-N
MW383.41 g/mol
LogP4.34
Rot. Bonds4

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

methyl 2-[(2-quinazolin-4-ylbenzoyl)amino]benzoate (PubChem CID 23738654) has the molecular formula C23H17N3O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is methyl 2-[(2-quinazolin-4-ylbenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-quinazolin-4-ylbenzoyl)amino]benzoate
PubChem CID23738654
Molecular FormulaC23H17N3O3
Molecular Weight383.41 g/mol
Exact Mass383.13
IUPAC Namemethyl 2-[(2-quinazolin-4-ylbenzoyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccccc1-c1ncnc2ccccc12
InChIInChI=1S/C23H17N3O3/c1-29-23(28)18-11-5-7-13-20(18)26-22(27)16-9-3-2-8-15(16)21-17-10-4-6-12-19(17)24-14-25-21/h2-14H,1H3,(H,26,27)
InChIKeyCLYPQHAXIBTVDI-UHFFFAOYSA-N
XLogP4.34
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dichlorophenyl)-2-quinazolin-4-ylbenzamide
CID 23934303
methyl 2-[(2-quinazolin-4-yloxyacetyl)amino]benzoate
CID 2393006
methyl 2-[(4,6-dimethylpyrimidine-5-carbonyl)amino]benzoate
CID 110861617
methyl 2-[[2-(2-methoxyphenyl)quinoline-4-carbonyl]amino]benzoate
CID 1012430
methyl 2-(isoquinoline-1-carbonylamino)benzoate
CID 110861602
methyl 2-[(2-chloropyridine-3-carbonyl)amino]benzoate
CID 4051547
methyl 2-[(5-chloronaphthalene-1-carbonyl)amino]benzoate
CID 17102102
methyl 2-[(2-bromopyridine-3-carbonyl)amino]benzoate
CID 103754028
methyl 2-[(2-bromobenzoyl)amino]benzoate
CID 723592
methyl 2-[(5-chloro-2-methylbenzoyl)amino]benzoate
CID 115532221
methyl 2-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]benzoate
CID 1221258
methyl 2-(2H-triazole-4-carbonylamino)benzoate
CID 78969246

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-quinazolin-4-ylbenzoyl)amino]benzoate?
The IUPAC name of methyl 2-[(2-quinazolin-4-ylbenzoyl)amino]benzoate (CID 23738654) is methyl 2-[(2-quinazolin-4-ylbenzoyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(2-quinazolin-4-ylbenzoyl)amino]benzoate?
The canonical SMILES for methyl 2-[(2-quinazolin-4-ylbenzoyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1ccccc1-c1ncnc2ccccc12.
What is the InChIKey of methyl 2-[(2-quinazolin-4-ylbenzoyl)amino]benzoate?
The InChIKey is CLYPQHAXIBTVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3/c1-29-23(28)18-11-5-7-13-20(18)26-22(27)16-9-3-2-8-15(16)21-17-10-4-6-12-19(17)24-14-25-21/h2-14H,1H3,(H,26,27).
What are the key properties of methyl 2-[(2-quinazolin-4-ylbenzoyl)amino]benzoate?
methyl 2-[(2-quinazolin-4-ylbenzoyl)amino]benzoate has a molecular weight of 383.41 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-quinazolin-4-ylbenzoyl)amino]benzoate is sourced from PubChem (CID 23738654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).