5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide

C23H17F3N4O2 — CID 58829955

IUPAC5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCOc1ccc(-c2ccc3nc(N)ncc3c2)cc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H17F3N4O2/c1-32-20-8-6-14(13-5-7-19-15(9-13)12-28-22(27)30-19)10-18(20)21(31)29-17-4-2-3-16(11-17)23(24,25)26/h2-12H,1H3,(H,29,31)(H2,27,28,30)
InChIKeyVOOMFOUQYPVRLJ-UHFFFAOYSA-N
MW438.41 g/mol
LogP5.16
Rot. Bonds4

About 5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide

5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 58829955) has the molecular formula C23H17F3N4O2 and a molecular weight of 438.41 g/mol. Its IUPAC name is 5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID58829955
Molecular FormulaC23H17F3N4O2
Molecular Weight438.41 g/mol
Exact Mass438.13
IUPAC Name5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCOc1ccc(-c2ccc3nc(N)ncc3c2)cc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H17F3N4O2/c1-32-20-8-6-14(13-5-7-19-15(9-13)12-28-22(27)30-19)10-18(20)21(31)29-17-4-2-3-16(11-17)23(24,25)26/h2-12H,1H3,(H,29,31)(H2,27,28,30)
InChIKeyVOOMFOUQYPVRLJ-UHFFFAOYSA-N
XLogP5.16
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.41
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide 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

5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide;5-chloro-2-methoxybenzoic acid;5-chloro-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 161355693
5-(2-aminoquinazolin-6-yl)-2,3,4-trimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 58830114
5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]benzamide
CID 71273086
5-fluoro-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 34754187
5-(ethylamino)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 146622236
N-[3-(2-aminoquinazolin-6-yl)-5-(trifluoromethyl)phenyl]-3-propan-2-ylbenzamide
CID 11546872
3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 678380
5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1110985
3-amino-6-(3,4-dimethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 2011209
2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860867
2-amino-5-chloro-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 114921483
2-amino-N-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide
CID 118986422

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide (CID 58829955) is 5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide is COc1ccc(-c2ccc3nc(N)ncc3c2)cc1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is VOOMFOUQYPVRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O2/c1-32-20-8-6-14(13-5-7-19-15(9-13)12-28-22(27)30-19)10-18(20)21(31)29-17-4-2-3-16(11-17)23(24,25)26/h2-12H,1H3,(H,29,31)(H2,27,28,30).
What are the key properties of 5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide?
5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 438.41 g/mol, XLogP of 5.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 58829955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).