2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide

C20H17F3N4O4 — CID 26660566

IUPAC2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCCn1c(=O)c2ccccc2n(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c1=O
InChIInChI=1S/C20H17F3N4O4/c1-2-26-19(30)11-5-3-4-6-14(11)27(20(26)31)10-16(29)24-9-15(28)25-13-8-7-12(21)17(22)18(13)23/h3-8H,2,9-10H2,1H3,(H,24,29)(H,25,28)
InChIKeyBDTRUNJWDUVAQO-UHFFFAOYSA-N
MW434.37 g/mol
LogP1.36
Rot. Bonds6

About 2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide

2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 26660566) has the molecular formula C20H17F3N4O4 and a molecular weight of 434.37 g/mol. Its IUPAC name is 2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID26660566
Molecular FormulaC20H17F3N4O4
Molecular Weight434.37 g/mol
Exact Mass434.12
IUPAC Name2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCCn1c(=O)c2ccccc2n(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c1=O
InChIInChI=1S/C20H17F3N4O4/c1-2-26-19(30)11-5-3-4-6-14(11)27(20(26)31)10-16(29)24-9-15(28)25-13-8-7-12(21)17(22)18(13)23/h3-8H,2,9-10H2,1H3,(H,24,29)(H,25,28)
InChIKeyBDTRUNJWDUVAQO-UHFFFAOYSA-N
XLogP1.36
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 55812305
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 6502232
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-prop-2-enylacetamide
CID 9400092
N-[5-chloro-2-(dimethylamino)phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 55432797
N-(3,5-dichlorophenyl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 26465857
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide
CID 26737786
2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(2-fluorophenyl)acetamide
CID 46925448
2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 56501159
2-(1-ethyl-2,4-dioxoquinazolin-3-yl)-N-(2-methoxyphenyl)acetamide
CID 3432119
N-(5-chloro-2-methoxyphenyl)-2-(1-ethyl-2,4-dioxoquinazolin-3-yl)acetamide
CID 6617080
2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(4-fluoro-2-methylphenyl)acetamide
CID 45030686
methyl 2-[[4-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzoyl]amino]acetate
CID 46584638

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide (CID 26660566) is 2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide is CCn1c(=O)c2ccccc2n(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c1=O.
What is the InChIKey of 2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is BDTRUNJWDUVAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O4/c1-2-26-19(30)11-5-3-4-6-14(11)27(20(26)31)10-16(29)24-9-15(28)25-13-8-7-12(21)17(22)18(13)23/h3-8H,2,9-10H2,1H3,(H,24,29)(H,25,28).
What are the key properties of 2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 434.37 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 26660566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).