ethyl 2-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]oxyacetate

C18H15ClFN3O3 — CID 66755921

IUPACethyl 2-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]oxyacetate
SMILESCCOC(=O)COc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1
InChIInChI=1S/C18H15ClFN3O3/c1-2-25-17(24)9-26-12-4-6-16-13(8-12)18(22-10-21-16)23-11-3-5-15(20)14(19)7-11/h3-8,10H,2,9H2,1H3,(H,21,22,23)
InChIKeyFLXIABQXRCCTOC-UHFFFAOYSA-N
MW375.79 g/mol
LogP4.11
Rot. Bonds6

About ethyl 2-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]oxyacetate

ethyl 2-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]oxyacetate (PubChem CID 66755921) has the molecular formula C18H15ClFN3O3 and a molecular weight of 375.79 g/mol. Its IUPAC name is ethyl 2-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]oxyacetate
PubChem CID66755921
Molecular FormulaC18H15ClFN3O3
Molecular Weight375.79 g/mol
Exact Mass375.08
IUPAC Nameethyl 2-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]oxyacetate
SMILESCCOC(=O)COc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1
InChIInChI=1S/C18H15ClFN3O3/c1-2-25-17(24)9-26-12-4-6-16-13(8-12)18(22-10-21-16)23-11-3-5-15(20)14(19)7-11/h3-8,10H,2,9H2,1H3,(H,21,22,23)
InChIKeyFLXIABQXRCCTOC-UHFFFAOYSA-N
XLogP4.11
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.79
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]oxypentanoate
CID 66755406
ethyl 6-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]oxyhexanoate
CID 66755682
6-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]oxy-N-hydroxyhexanamide
CID 24945114
[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]urea
CID 127048977
ethyl 7-[4-(3-chloro-4-fluoroanilino)-6-(2-methoxyethoxy)quinazolin-7-yl]oxyheptanoate
CID 69009484
N-[4-[[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]oxymethoxy]cyclohexyl]-N-methylacetamide
CID 67362826
4-N-(3-chloro-4-fluorophenyl)quinazoline-4,6-diamine;hydrochloride
CID 21217673
2-[4-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]oxypiperidin-1-yl]acetyl bromide
CID 141076235
N-[3-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]prop-2-ynyl]prop-2-ynamide
CID 71556124
ethyl 4-[4-(3-chloro-4-fluoroanilino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzoate
CID 69179720
N-(3-chloro-4-fluorophenyl)quinazolin-4-amine
CID 725409
1-[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl]-3-diethoxyphosphorylpropan-2-one
CID 159362199

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]oxyacetate?
The IUPAC name of ethyl 2-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]oxyacetate (CID 66755921) is ethyl 2-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]oxyacetate.
What is the SMILES notation for ethyl 2-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]oxyacetate?
The canonical SMILES for ethyl 2-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]oxyacetate is CCOC(=O)COc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1.
What is the InChIKey of ethyl 2-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]oxyacetate?
The InChIKey is FLXIABQXRCCTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O3/c1-2-25-17(24)9-26-12-4-6-16-13(8-12)18(22-10-21-16)23-11-3-5-15(20)14(19)7-11/h3-8,10H,2,9H2,1H3,(H,21,22,23).
What are the key properties of ethyl 2-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]oxyacetate?
ethyl 2-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]oxyacetate has a molecular weight of 375.79 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]oxyacetate is sourced from PubChem (CID 66755921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).