2-butan-2-yl-N-hydroxy-4-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-7-carboxamide

C21H20F3N3O3 — CID 87413107

IUPAC2-butan-2-yl-N-hydroxy-4-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-7-carboxamide
SMILESCCC(C)c1nc2cc(C(=O)NO)ccc2c(=O)n1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H20F3N3O3/c1-3-12(2)18-25-17-10-14(19(28)26-30)6-9-16(17)20(29)27(18)11-13-4-7-15(8-5-13)21(22,23)24/h4-10,12,30H,3,11H2,1-2H3,(H,26,28)
InChIKeyQJIJDRQJCRZFEH-UHFFFAOYSA-N
MW419.40 g/mol
LogP4.10
Rot. Bonds5

About 2-butan-2-yl-N-hydroxy-4-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-7-carboxamide

2-butan-2-yl-N-hydroxy-4-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-7-carboxamide (PubChem CID 87413107) has the molecular formula C21H20F3N3O3 and a molecular weight of 419.40 g/mol. Its IUPAC name is 2-butan-2-yl-N-hydroxy-4-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-7-carboxamide.

Molecular Properties

Compound Name2-butan-2-yl-N-hydroxy-4-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-7-carboxamide
PubChem CID87413107
Molecular FormulaC21H20F3N3O3
Molecular Weight419.40 g/mol
Exact Mass419.15
IUPAC Name2-butan-2-yl-N-hydroxy-4-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-7-carboxamide
SMILESCCC(C)c1nc2cc(C(=O)NO)ccc2c(=O)n1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H20F3N3O3/c1-3-12(2)18-25-17-10-14(19(28)26-30)6-9-16(17)20(29)27(18)11-13-4-7-15(8-5-13)21(22,23)24/h4-10,12,30H,3,11H2,1-2H3,(H,26,28)
InChIKeyQJIJDRQJCRZFEH-UHFFFAOYSA-N
XLogP4.10
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.40
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-butan-2-yl-N-hydroxy-4-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]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

2-[4-(dimethylamino)phenyl]-N-hydroxy-4-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-7-carboxamide
CID 87413166
2-[3-benzyl-4-oxo-7-(trifluoromethyl)quinazolin-2-yl]-3-methylbutanamide
CID 57435298
4-[(2,6-dimethyl-4-oxoquinazolin-3-yl)methyl]-N-hydroxybenzamide
CID 142751614
3-benzyl-2-[(4-chlorophenyl)methylamino]-N-hydroxy-4-oxoquinazoline-7-carboxamide
CID 87337371
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide
CID 42711320
5,11-bis[[4-(trifluoromethyl)phenyl]methyl]-5,11-diazatetracyclo[7.3.2.23,7.02,8]hexadeca-1(13),2,7,9(14),15-pentaene-4,6,10,12-tetrone
CID 87063251
12-oxo-N-[4-(trifluoromethyl)phenyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 7961971
N-hydroxy-2,2-dimethyl-3-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-benzoxazine-6-carboxamide
CID 126645915
2-butan-2-yl-1-propyl-5-(trifluoromethyl)benzimidazole
CID 46310677
2-chloro-3-[2-(methylamino)ethyl]-7-(trifluoromethyl)quinazolin-4-one
CID 117264403
N-(2-butan-2-ylphenyl)-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide
CID 17499705
3-benzyl-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-oxo-N-propan-2-ylquinazoline-7-carboxamide
CID 46284152

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-N-hydroxy-4-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-7-carboxamide?
The IUPAC name of 2-butan-2-yl-N-hydroxy-4-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-7-carboxamide (CID 87413107) is 2-butan-2-yl-N-hydroxy-4-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-7-carboxamide.
What is the SMILES notation for 2-butan-2-yl-N-hydroxy-4-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-7-carboxamide?
The canonical SMILES for 2-butan-2-yl-N-hydroxy-4-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-7-carboxamide is CCC(C)c1nc2cc(C(=O)NO)ccc2c(=O)n1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-butan-2-yl-N-hydroxy-4-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-7-carboxamide?
The InChIKey is QJIJDRQJCRZFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O3/c1-3-12(2)18-25-17-10-14(19(28)26-30)6-9-16(17)20(29)27(18)11-13-4-7-15(8-5-13)21(22,23)24/h4-10,12,30H,3,11H2,1-2H3,(H,26,28).
What are the key properties of 2-butan-2-yl-N-hydroxy-4-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-7-carboxamide?
2-butan-2-yl-N-hydroxy-4-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-7-carboxamide has a molecular weight of 419.40 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-N-hydroxy-4-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-7-carboxamide is sourced from PubChem (CID 87413107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).