3-(2-aminoquinazolin-6-yl)-N-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide

C25H21F3N4O3 — CID 11525892

IUPAC3-(2-aminoquinazolin-6-yl)-N-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide
SMILESCOc1cc(OC)c(C(F)(F)F)cc1NC(=O)c1ccc(C)c(-c2ccc3nc(N)ncc3c2)c1
InChIInChI=1S/C25H21F3N4O3/c1-13-4-5-15(9-17(13)14-6-7-19-16(8-14)12-30-24(29)32-19)23(33)31-20-10-18(25(26,27)28)21(34-2)11-22(20)35-3/h4-12H,1-3H3,(H,31,33)(H2,29,30,32)
InChIKeyDWVUJBBSUMPXBM-UHFFFAOYSA-N
MW482.46 g/mol
LogP5.48
Rot. Bonds5

About 3-(2-aminoquinazolin-6-yl)-N-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide

3-(2-aminoquinazolin-6-yl)-N-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide (PubChem CID 11525892) has the molecular formula C25H21F3N4O3 and a molecular weight of 482.46 g/mol. Its IUPAC name is 3-(2-aminoquinazolin-6-yl)-N-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-(2-aminoquinazolin-6-yl)-N-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide
PubChem CID11525892
Molecular FormulaC25H21F3N4O3
Molecular Weight482.46 g/mol
Exact Mass482.16
IUPAC Name3-(2-aminoquinazolin-6-yl)-N-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide
SMILESCOc1cc(OC)c(C(F)(F)F)cc1NC(=O)c1ccc(C)c(-c2ccc3nc(N)ncc3c2)c1
InChIInChI=1S/C25H21F3N4O3/c1-13-4-5-15(9-17(13)14-6-7-19-16(8-14)12-30-24(29)32-19)23(33)31-20-10-18(25(26,27)28)21(34-2)11-22(20)35-3/h4-12H,1-3H3,(H,31,33)(H2,29,30,32)
InChIKeyDWVUJBBSUMPXBM-UHFFFAOYSA-N
XLogP5.48
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.46
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(2-aminoquinazolin-6-yl)-N-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide 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

3-(2-aminoquinazolin-6-yl)-4-methyl-N-[4-propan-2-yl-2-(trifluoromethyl)phenyl]benzamide
CID 58829992
3-(2-aminoquinazolin-6-yl)-4-methyl-N-[4-phenyl-3-(trifluoromethyl)phenyl]benzamide
CID 71211094
3-(2-aminoquinazolin-6-yl)-N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
CID 58829952
3-(2-aminoquinazolin-6-yl)-N-(2,4-difluorophenyl)-4-methylbenzamide
CID 58829783
3-(2-aminoquinazolin-6-yl)-4-methyl-N-(2-methyl-5-nitrophenyl)benzamide
CID 69461436
3-(2-aminoquinazolin-6-yl)-N-[5-[hydroxy(oxido)amino]-2-methylphenyl]-4-methylbenzamide
CID 58829691
3-(2-aminoquinazolin-6-yl)-N-[2-[4-(dimethylamino)butylamino]-4-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 69465278
3-(4-aminoquinazolin-6-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 58829464
3-(2-aminoquinazolin-6-yl)-N-cyclopropyl-4-methoxybenzamide
CID 58829959
3-(2-aminoquinazolin-6-yl)-N-(5-tert-butyl-1,2-oxazol-3-yl)-4-methylbenzamide
CID 58829376
3-(2-aminoquinazolin-6-yl)-N-[3-[3-(dimethylamino)propoxy]-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 58829444
3-(2-aminoquinazolin-6-yl)-4-methyl-N-[4-(4-methylpiperazine-1-carbonyl)-3-(trifluoromethyl)phenyl]benzamide
CID 176903594

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoquinazolin-6-yl)-N-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide?
The IUPAC name of 3-(2-aminoquinazolin-6-yl)-N-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide (CID 11525892) is 3-(2-aminoquinazolin-6-yl)-N-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide.
What is the SMILES notation for 3-(2-aminoquinazolin-6-yl)-N-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide?
The canonical SMILES for 3-(2-aminoquinazolin-6-yl)-N-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide is COc1cc(OC)c(C(F)(F)F)cc1NC(=O)c1ccc(C)c(-c2ccc3nc(N)ncc3c2)c1.
What is the InChIKey of 3-(2-aminoquinazolin-6-yl)-N-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide?
The InChIKey is DWVUJBBSUMPXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N4O3/c1-13-4-5-15(9-17(13)14-6-7-19-16(8-14)12-30-24(29)32-19)23(33)31-20-10-18(25(26,27)28)21(34-2)11-22(20)35-3/h4-12H,1-3H3,(H,31,33)(H2,29,30,32).
What are the key properties of 3-(2-aminoquinazolin-6-yl)-N-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide?
3-(2-aminoquinazolin-6-yl)-N-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide has a molecular weight of 482.46 g/mol, XLogP of 5.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoquinazolin-6-yl)-N-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide is sourced from PubChem (CID 11525892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).