3-(2-amino-8-bromo-7-methoxyquinazolin-6-yl)-4-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]benzamide

C23H17BrF3N5O2 — CID 66898358

IUPAC3-(2-amino-8-bromo-7-methoxyquinazolin-6-yl)-4-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCOc1c(-c2cc(C(=O)Nc3cccc(C(F)(F)F)n3)ccc2C)cc2cnc(N)nc2c1Br
InChIInChI=1S/C23H17BrF3N5O2/c1-11-6-7-12(21(33)31-17-5-3-4-16(30-17)23(25,26)27)8-14(11)15-9-13-10-29-22(28)32-19(13)18(24)20(15)34-2/h3-10H,1-2H3,(H2,28,29,32)(H,30,31,33)
InChIKeyHOANBYRDDNTBII-UHFFFAOYSA-N
MW532.32 g/mol
LogP5.62
Rot. Bonds4

About 3-(2-amino-8-bromo-7-methoxyquinazolin-6-yl)-4-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]benzamide

3-(2-amino-8-bromo-7-methoxyquinazolin-6-yl)-4-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 66898358) has the molecular formula C23H17BrF3N5O2 and a molecular weight of 532.32 g/mol. Its IUPAC name is 3-(2-amino-8-bromo-7-methoxyquinazolin-6-yl)-4-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-(2-amino-8-bromo-7-methoxyquinazolin-6-yl)-4-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID66898358
Molecular FormulaC23H17BrF3N5O2
Molecular Weight532.32 g/mol
Exact Mass531.05
IUPAC Name3-(2-amino-8-bromo-7-methoxyquinazolin-6-yl)-4-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCOc1c(-c2cc(C(=O)Nc3cccc(C(F)(F)F)n3)ccc2C)cc2cnc(N)nc2c1Br
InChIInChI=1S/C23H17BrF3N5O2/c1-11-6-7-12(21(33)31-17-5-3-4-16(30-17)23(25,26)27)8-14(11)15-9-13-10-29-22(28)32-19(13)18(24)20(15)34-2/h3-10H,1-2H3,(H2,28,29,32)(H,30,31,33)
InChIKeyHOANBYRDDNTBII-UHFFFAOYSA-N
XLogP5.62
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.32
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-amino-7-hydroxy-8-phenylquinazolin-6-yl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 137143953
3-(2-aminoquinazolin-6-yl)-N-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 11525892
tert-butyl 4-[4-[2-amino-7-methoxy-6-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]quinazolin-8-yl]pyrazol-1-yl]piperidine-1-carboxylate
CID 66898265
3-[7-methoxy-2-(propan-2-ylamino)-8-pyridin-2-ylquinazolin-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 66922089
3-(2-aminoquinazolin-6-yl)-N-(5-tert-butyl-1,2-oxazol-3-yl)-4-methylbenzamide
CID 58829376
3-(2-aminoquinazolin-6-yl)-4-methyl-N-[4-phenyl-3-(trifluoromethyl)phenyl]benzamide
CID 71211094
3-(2-aminoquinazolin-6-yl)-4-methyl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide
CID 139541311
3-(2-aminoquinazolin-6-yl)-4-methyl-N-[4-propan-2-yl-2-(trifluoromethyl)phenyl]benzamide
CID 58829992
N-(6-bromo-2-pyridinyl)-3-hydroxy-4-methylbenzamide
CID 43520349
3-(2-aminoquinazolin-6-yl)-N-[3-[3-(dimethylamino)propoxy]-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 58829444
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

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-8-bromo-7-methoxyquinazolin-6-yl)-4-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of 3-(2-amino-8-bromo-7-methoxyquinazolin-6-yl)-4-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]benzamide (CID 66898358) is 3-(2-amino-8-bromo-7-methoxyquinazolin-6-yl)-4-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 3-(2-amino-8-bromo-7-methoxyquinazolin-6-yl)-4-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for 3-(2-amino-8-bromo-7-methoxyquinazolin-6-yl)-4-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]benzamide is COc1c(-c2cc(C(=O)Nc3cccc(C(F)(F)F)n3)ccc2C)cc2cnc(N)nc2c1Br.
What is the InChIKey of 3-(2-amino-8-bromo-7-methoxyquinazolin-6-yl)-4-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is HOANBYRDDNTBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrF3N5O2/c1-11-6-7-12(21(33)31-17-5-3-4-16(30-17)23(25,26)27)8-14(11)15-9-13-10-29-22(28)32-19(13)18(24)20(15)34-2/h3-10H,1-2H3,(H2,28,29,32)(H,30,31,33).
What are the key properties of 3-(2-amino-8-bromo-7-methoxyquinazolin-6-yl)-4-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]benzamide?
3-(2-amino-8-bromo-7-methoxyquinazolin-6-yl)-4-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 532.32 g/mol, XLogP of 5.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-8-bromo-7-methoxyquinazolin-6-yl)-4-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 66898358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).