[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate

C19H15F2N3O5 — CID 2410671

IUPAC[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
SMILESO=C(COC(=O)Cn1cnc2ccccc2c1=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C19H15F2N3O5/c20-19(21)29-15-8-4-3-7-14(15)23-16(25)10-28-17(26)9-24-11-22-13-6-2-1-5-12(13)18(24)27/h1-8,11,19H,9-10H2,(H,23,25)
InChIKeyPCUYSNLMEJXZOZ-UHFFFAOYSA-N
MW403.34 g/mol
LogP2.18
Rot. Bonds7

About [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate

[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate (PubChem CID 2410671) has the molecular formula C19H15F2N3O5 and a molecular weight of 403.34 g/mol. Its IUPAC name is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate.

Molecular Properties

Compound Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
PubChem CID2410671
Molecular FormulaC19H15F2N3O5
Molecular Weight403.34 g/mol
Exact Mass403.10
IUPAC Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
SMILESO=C(COC(=O)Cn1cnc2ccccc2c1=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C19H15F2N3O5/c20-19(21)29-15-8-4-3-7-14(15)23-16(25)10-28-17(26)9-24-11-22-13-6-2-1-5-12(13)18(24)27/h1-8,11,19H,9-10H2,(H,23,25)
InChIKeyPCUYSNLMEJXZOZ-UHFFFAOYSA-N
XLogP2.18
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate with MolForge

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3957854
N~1~-(2,5-dimethoxyphenyl)-N~2~-[(4-oxoquinazolin-3(4H)-yl)acetyl]glycinamide
CID 3237928
[2-[5-(Dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 4844513
N-(2-Methoxy-5-methylphenyl)-3-[2-(4-oxo-3,4-dihydroquinazolin-3-YL)acetamido]propanamide
CID 15994104
3(4H)-Quinazolineacetamide, N-(4-methoxyphenyl)-4-oxo-
CID 670909
3-(4-(4-phenyl-1-piperazinyl)butyl)quinazolin-4(3H)-one
CID 23653115
3-{3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl}-4(3H)-quinazolinone
CID 45482881
2-Methoxy-N-[2-(4-methoxy-phenyl)-ethyl]-N-(4-oxo-3,4-dihydro-quinazolin-2-ylmethyl)-acetamide
CID 135429121
N-(2,5-dimethoxyphenyl)-N-ethyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide
CID 15991124
[2-(2-Methoxy-5-nitroanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 4840342
N-(4-methoxyphenyl)-4-(4-oxoquinazolin-3(4H)-yl)butanamide
CID 4903173
2-(2-Trifluoromethoxy-phenylamino)-benzo[d][1,3]oxazin-4-one
CID 10615794

Frequently Asked Questions

What is the IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate (CID 2410671) is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate.
What is the SMILES notation for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The canonical SMILES for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate is O=C(COC(=O)Cn1cnc2ccccc2c1=O)Nc1ccccc1OC(F)F.
What is the InChIKey of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The InChIKey is PCUYSNLMEJXZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O5/c20-19(21)29-15-8-4-3-7-14(15)23-16(25)10-28-17(26)9-24-11-22-13-6-2-1-5-12(13)18(24)27/h1-8,11,19H,9-10H2,(H,23,25).
What are the key properties of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate has a molecular weight of 403.34 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate is sourced from PubChem (CID 2410671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).