[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate

C18H13F2N3O4 — CID 7995448

IUPAC[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
SMILESO=C(COC(=O)Cn1cnc2ccccc2c1=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C18H13F2N3O4/c19-13-6-5-11(7-14(13)20)22-16(24)9-27-17(25)8-23-10-21-15-4-2-1-3-12(15)18(23)26/h1-7,10H,8-9H2,(H,22,24)
InChIKeyBZQUYQKUZXZVBA-UHFFFAOYSA-N
MW373.32 g/mol
LogP1.86
Rot. Bonds5

About [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate

[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate (PubChem CID 7995448) has the molecular formula C18H13F2N3O4 and a molecular weight of 373.32 g/mol. Its IUPAC name is [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate.

Molecular Properties

Compound Name[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
PubChem CID7995448
Molecular FormulaC18H13F2N3O4
Molecular Weight373.32 g/mol
Exact Mass373.09
IUPAC Name[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
SMILESO=C(COC(=O)Cn1cnc2ccccc2c1=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C18H13F2N3O4/c19-13-6-5-11(7-14(13)20)22-16(24)9-27-17(25)8-23-10-21-15-4-2-1-3-12(15)18(23)26/h1-7,10H,8-9H2,(H,22,24)
InChIKeyBZQUYQKUZXZVBA-UHFFFAOYSA-N
XLogP1.86
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 3915292
[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 29458541
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 46792839
[2-(2-ethylanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995489
[2-[4-[4-(2-methylbutan-2-yl)phenoxy]anilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 2451728
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 2482812
[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 18279717
[2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995294
2-(benzimidazol-1-yl)-N-(3,4-difluorophenyl)acetamide
CID 3578169
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 25437008
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 25437012
N-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 852114

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The IUPAC name of [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate (CID 7995448) is [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate.
What is the SMILES notation for [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The canonical SMILES for [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate is O=C(COC(=O)Cn1cnc2ccccc2c1=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The InChIKey is BZQUYQKUZXZVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O4/c19-13-6-5-11(7-14(13)20)22-16(24)9-27-17(25)8-23-10-21-15-4-2-1-3-12(15)18(23)26/h1-7,10H,8-9H2,(H,22,24).
What are the key properties of [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate has a molecular weight of 373.32 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate is sourced from PubChem (CID 7995448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).