N-[4-oxo-2-(trifluoromethyl)-3H-quinazolin-6-yl]cyclobutanecarboxamide

C14H12F3N3O2 — CID 166390930

IUPACN-[4-oxo-2-(trifluoromethyl)-3H-quinazolin-6-yl]cyclobutanecarboxamide
SMILESO=C(Nc1ccc2nc(C(F)(F)F)[nH]c(=O)c2c1)C1CCC1
InChIInChI=1S/C14H12F3N3O2/c15-14(16,17)13-19-10-5-4-8(6-9(10)12(22)20-13)18-11(21)7-2-1-3-7/h4-7H,1-3H2,(H,18,21)(H,19,20,22)
InChIKeyWSECDEDFIGRUJE-UHFFFAOYSA-N
MW311.26 g/mol
LogP2.68
Rot. Bonds2

About N-[4-oxo-2-(trifluoromethyl)-3H-quinazolin-6-yl]cyclobutanecarboxamide

N-[4-oxo-2-(trifluoromethyl)-3H-quinazolin-6-yl]cyclobutanecarboxamide (PubChem CID 166390930) has the molecular formula C14H12F3N3O2 and a molecular weight of 311.26 g/mol. Its IUPAC name is N-[4-oxo-2-(trifluoromethyl)-3H-quinazolin-6-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[4-oxo-2-(trifluoromethyl)-3H-quinazolin-6-yl]cyclobutanecarboxamide
PubChem CID166390930
Molecular FormulaC14H12F3N3O2
Molecular Weight311.26 g/mol
Exact Mass311.09
IUPAC NameN-[4-oxo-2-(trifluoromethyl)-3H-quinazolin-6-yl]cyclobutanecarboxamide
SMILESO=C(Nc1ccc2nc(C(F)(F)F)[nH]c(=O)c2c1)C1CCC1
InChIInChI=1S/C14H12F3N3O2/c15-14(16,17)13-19-10-5-4-8(6-9(10)12(22)20-13)18-11(21)7-2-1-3-7/h4-7H,1-3H2,(H,18,21)(H,19,20,22)
InChIKeyWSECDEDFIGRUJE-UHFFFAOYSA-N
XLogP2.68
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-oxo-2-(trifluoromethyl)-3H-quinazolin-6-yl]cyclobutanecarboxamide 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-(3,4-dichlorophenyl)-1-[2-(trifluoromethyl)-3H-benzimidazole-5-carbonyl]piperidine-4-carboxamide
CID 171320870
N-(2-chloro-3H-benzimidazol-5-yl)cyclohexanecarboxamide
CID 84581323
N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 30148120
N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]cyclopropanecarboxamide
CID 1456528
6-(cyclopentanecarbonylamino)-2-(dipropylamino)quinoline-4-carboxylic acid
CID 46326852
N-(1-oxo-2H-isoquinolin-6-yl)cyclohexanecarboxamide
CID 152967795
N-(2-methyl-3H-benzimidazol-5-yl)cyclopropanecarboxamide
CID 53276569
N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 47081962
N-(3-fluoro-4-hydroxyphenyl)cyclobutanecarboxamide
CID 64781438
1-[[4-oxo-7-(trifluoromethyl)-3H-quinazolin-2-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 154747536
N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 874898
3-(cyclopentanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 3978789

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-2-(trifluoromethyl)-3H-quinazolin-6-yl]cyclobutanecarboxamide?
The IUPAC name of N-[4-oxo-2-(trifluoromethyl)-3H-quinazolin-6-yl]cyclobutanecarboxamide (CID 166390930) is N-[4-oxo-2-(trifluoromethyl)-3H-quinazolin-6-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[4-oxo-2-(trifluoromethyl)-3H-quinazolin-6-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[4-oxo-2-(trifluoromethyl)-3H-quinazolin-6-yl]cyclobutanecarboxamide is O=C(Nc1ccc2nc(C(F)(F)F)[nH]c(=O)c2c1)C1CCC1.
What is the InChIKey of N-[4-oxo-2-(trifluoromethyl)-3H-quinazolin-6-yl]cyclobutanecarboxamide?
The InChIKey is WSECDEDFIGRUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O2/c15-14(16,17)13-19-10-5-4-8(6-9(10)12(22)20-13)18-11(21)7-2-1-3-7/h4-7H,1-3H2,(H,18,21)(H,19,20,22).
What are the key properties of N-[4-oxo-2-(trifluoromethyl)-3H-quinazolin-6-yl]cyclobutanecarboxamide?
N-[4-oxo-2-(trifluoromethyl)-3H-quinazolin-6-yl]cyclobutanecarboxamide has a molecular weight of 311.26 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-2-(trifluoromethyl)-3H-quinazolin-6-yl]cyclobutanecarboxamide is sourced from PubChem (CID 166390930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).