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

C24H20F3N5O2 — CID 71273086

IUPAC5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]benzamide
SMILESCNc1ccc(C(F)(F)F)cc1NC(=O)c1cc(-c2ccc3nc(N)ncc3c2)ccc1OC
InChIInChI=1S/C24H20F3N5O2/c1-29-19-7-5-16(24(25,26)27)11-20(19)31-22(33)17-10-14(4-8-21(17)34-2)13-3-6-18-15(9-13)12-30-23(28)32-18/h3-12,29H,1-2H3,(H,31,33)(H2,28,30,32)
InChIKeyTYHIZMMGUMUNRF-UHFFFAOYSA-N
MW467.45 g/mol
LogP5.20
Rot. Bonds5

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

5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 71273086) has the molecular formula C24H20F3N5O2 and a molecular weight of 467.45 g/mol. Its IUPAC name is 5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]benzamide
PubChem CID71273086
Molecular FormulaC24H20F3N5O2
Molecular Weight467.45 g/mol
Exact Mass467.16
IUPAC Name5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]benzamide
SMILESCNc1ccc(C(F)(F)F)cc1NC(=O)c1cc(-c2ccc3nc(N)ncc3c2)ccc1OC
InChIInChI=1S/C24H20F3N5O2/c1-29-19-7-5-16(24(25,26)27)11-20(19)31-22(33)17-10-14(4-8-21(17)34-2)13-3-6-18-15(9-13)12-30-23(28)32-18/h3-12,29H,1-2H3,(H,31,33)(H2,28,30,32)
InChIKeyTYHIZMMGUMUNRF-UHFFFAOYSA-N
XLogP5.20
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.45
LogP ≤ 55.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 58829955
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
3-(2-aminoquinazolin-6-yl)-N-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 11525892
N-isoquinolin-4-yl-2-methoxy-5-(trifluoromethyl)benzamide
CID 166085769
6-(trifluoromethyl)quinazolin-2-amine
CID 10584686
N-[2-amino-4-(trifluoromethyl)phenyl]-2-methoxybenzamide
CID 16775181
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2,6-dimethylquinoline-3-carboxamide
CID 55466432
3-(2-aminoquinazolin-6-yl)-N-[2-[4-(dimethylamino)butylamino]-4-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 69465278
5-(2-aminopyrimidin-5-yl)-N-[2-[3-(dimethylamino)propyl-methylamino]-5-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 70860531
2-[(2-methoxybenzoyl)amino]-4-(trifluoromethyl)benzamide
CID 59299610
N-[5-(2-aminoquinazolin-6-yl)-2-fluorophenyl]-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-(trifluoromethyl)benzamide
CID 58829317

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]benzamide (CID 71273086) is 5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]benzamide is CNc1ccc(C(F)(F)F)cc1NC(=O)c1cc(-c2ccc3nc(N)ncc3c2)ccc1OC.
What is the InChIKey of 5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is TYHIZMMGUMUNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O2/c1-29-19-7-5-16(24(25,26)27)11-20(19)31-22(33)17-10-14(4-8-21(17)34-2)13-3-6-18-15(9-13)12-30-23(28)32-18/h3-12,29H,1-2H3,(H,31,33)(H2,28,30,32).
What are the key properties of 5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]benzamide?
5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 467.45 g/mol, XLogP of 5.20, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 71273086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).