methyl 2-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]acetate

C17H14FN3O2 — CID 3237155

IUPACmethyl 2-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]acetate
SMILESCOC(=O)CNc1nc(-c2ccccc2F)nc2ccccc12
InChIInChI=1S/C17H14FN3O2/c1-23-15(22)10-19-16-12-7-3-5-9-14(12)20-17(21-16)11-6-2-4-8-13(11)18/h2-9H,10H2,1H3,(H,19,20,21)
InChIKeyYJEQJYIRFMMFLI-UHFFFAOYSA-N
MW311.32 g/mol
LogP3.02
Rot. Bonds4

About methyl 2-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]acetate

methyl 2-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]acetate (PubChem CID 3237155) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is methyl 2-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]acetate
PubChem CID3237155
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Namemethyl 2-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]acetate
SMILESCOC(=O)CNc1nc(-c2ccccc2F)nc2ccccc12
InChIInChI=1S/C17H14FN3O2/c1-23-15(22)10-19-16-12-7-3-5-9-14(12)20-17(21-16)11-6-2-4-8-13(11)18/h2-9H,10H2,1H3,(H,19,20,21)
InChIKeyYJEQJYIRFMMFLI-UHFFFAOYSA-N
XLogP3.02
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]acetate?
The IUPAC name of methyl 2-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]acetate (CID 3237155) is methyl 2-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]acetate?
The canonical SMILES for methyl 2-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]acetate is COC(=O)CNc1nc(-c2ccccc2F)nc2ccccc12.
What is the InChIKey of methyl 2-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]acetate?
The InChIKey is YJEQJYIRFMMFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c1-23-15(22)10-19-16-12-7-3-5-9-14(12)20-17(21-16)11-6-2-4-8-13(11)18/h2-9H,10H2,1H3,(H,19,20,21).
What are the key properties of methyl 2-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]acetate?
methyl 2-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]acetate has a molecular weight of 311.32 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]acetate is sourced from PubChem (CID 3237155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).