3-ethyl-2,4-dioxo-N-[3-(2,2,2-trifluoroethoxy)phenyl]-1H-quinazoline-7-carboxamide

C19H16F3N3O4 — CID 55851551

IUPAC3-ethyl-2,4-dioxo-N-[3-(2,2,2-trifluoroethoxy)phenyl]-1H-quinazoline-7-carboxamide
SMILESCCn1c(=O)[nH]c2cc(C(=O)Nc3cccc(OCC(F)(F)F)c3)ccc2c1=O
InChIInChI=1S/C19H16F3N3O4/c1-2-25-17(27)14-7-6-11(8-15(14)24-18(25)28)16(26)23-12-4-3-5-13(9-12)29-10-19(20,21)22/h3-9H,2,10H2,1H3,(H,23,26)(H,24,28)
InChIKeyNSOSZGJEPYBMAS-UHFFFAOYSA-N
MW407.35 g/mol
LogP2.90
Rot. Bonds5

About 3-ethyl-2,4-dioxo-N-[3-(2,2,2-trifluoroethoxy)phenyl]-1H-quinazoline-7-carboxamide

3-ethyl-2,4-dioxo-N-[3-(2,2,2-trifluoroethoxy)phenyl]-1H-quinazoline-7-carboxamide (PubChem CID 55851551) has the molecular formula C19H16F3N3O4 and a molecular weight of 407.35 g/mol. Its IUPAC name is 3-ethyl-2,4-dioxo-N-[3-(2,2,2-trifluoroethoxy)phenyl]-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound Name3-ethyl-2,4-dioxo-N-[3-(2,2,2-trifluoroethoxy)phenyl]-1H-quinazoline-7-carboxamide
PubChem CID55851551
Molecular FormulaC19H16F3N3O4
Molecular Weight407.35 g/mol
Exact Mass407.11
IUPAC Name3-ethyl-2,4-dioxo-N-[3-(2,2,2-trifluoroethoxy)phenyl]-1H-quinazoline-7-carboxamide
SMILESCCn1c(=O)[nH]c2cc(C(=O)Nc3cccc(OCC(F)(F)F)c3)ccc2c1=O
InChIInChI=1S/C19H16F3N3O4/c1-2-25-17(27)14-7-6-11(8-15(14)24-18(25)28)16(26)23-12-4-3-5-13(9-12)29-10-19(20,21)22/h3-9H,2,10H2,1H3,(H,23,26)(H,24,28)
InChIKeyNSOSZGJEPYBMAS-UHFFFAOYSA-N
XLogP2.90
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.35
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-2,4-dioxo-N-[3-(2,2,2-trifluoroethoxy)phenyl]-1H-quinazoline-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(difluoromethoxy)phenyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 55849337
N-(4-chlorophenyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 936828
N-[4-(cyanomethoxy)phenyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 55813649
3-ethyl-N'-(4-fluorobenzoyl)-2,4-dioxo-1H-quinazoline-7-carbohydrazide
CID 55810946
N-[4-(dimethylcarbamoyl)-3-methylphenyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 136527414
N-(5-chloro-2,4-dimethoxyphenyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 55811394
N-(1,1-diphenylethyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 56522577
3-ethyl-4-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 24605772
3-ethyl-N-[4-(2-methoxyphenoxy)phenyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 24575698
3-ethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 55818543
1-[(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 120539179
3-ethyl-4-oxo-2-sulfanylidene-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-1H-quinazoline-7-carboxamide
CID 37038281

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,4-dioxo-N-[3-(2,2,2-trifluoroethoxy)phenyl]-1H-quinazoline-7-carboxamide?
The IUPAC name of 3-ethyl-2,4-dioxo-N-[3-(2,2,2-trifluoroethoxy)phenyl]-1H-quinazoline-7-carboxamide (CID 55851551) is 3-ethyl-2,4-dioxo-N-[3-(2,2,2-trifluoroethoxy)phenyl]-1H-quinazoline-7-carboxamide.
What is the SMILES notation for 3-ethyl-2,4-dioxo-N-[3-(2,2,2-trifluoroethoxy)phenyl]-1H-quinazoline-7-carboxamide?
The canonical SMILES for 3-ethyl-2,4-dioxo-N-[3-(2,2,2-trifluoroethoxy)phenyl]-1H-quinazoline-7-carboxamide is CCn1c(=O)[nH]c2cc(C(=O)Nc3cccc(OCC(F)(F)F)c3)ccc2c1=O.
What is the InChIKey of 3-ethyl-2,4-dioxo-N-[3-(2,2,2-trifluoroethoxy)phenyl]-1H-quinazoline-7-carboxamide?
The InChIKey is NSOSZGJEPYBMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O4/c1-2-25-17(27)14-7-6-11(8-15(14)24-18(25)28)16(26)23-12-4-3-5-13(9-12)29-10-19(20,21)22/h3-9H,2,10H2,1H3,(H,23,26)(H,24,28).
What are the key properties of 3-ethyl-2,4-dioxo-N-[3-(2,2,2-trifluoroethoxy)phenyl]-1H-quinazoline-7-carboxamide?
3-ethyl-2,4-dioxo-N-[3-(2,2,2-trifluoroethoxy)phenyl]-1H-quinazoline-7-carboxamide has a molecular weight of 407.35 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,4-dioxo-N-[3-(2,2,2-trifluoroethoxy)phenyl]-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 55851551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).