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

C24H19F3N4O2 — CID 58829464

IUPAC3-(4-aminoquinazolin-6-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide
SMILESCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(-c2ccc3ncnc(N)c3c2)c1
InChIInChI=1S/C24H19F3N4O2/c1-13-3-4-15(10-17(13)14-5-7-19-18(9-14)22(28)30-12-29-19)23(32)31-20-11-16(24(25,26)27)6-8-21(20)33-2/h3-12H,1-2H3,(H,31,32)(H2,28,29,30)
InChIKeyMHWIMQYRYXNWJV-UHFFFAOYSA-N
MW452.44 g/mol
LogP5.47
Rot. Bonds4

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

3-(4-aminoquinazolin-6-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide (PubChem CID 58829464) has the molecular formula C24H19F3N4O2 and a molecular weight of 452.44 g/mol. Its IUPAC name is 3-(4-aminoquinazolin-6-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-(4-aminoquinazolin-6-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide
PubChem CID58829464
Molecular FormulaC24H19F3N4O2
Molecular Weight452.44 g/mol
Exact Mass452.15
IUPAC Name3-(4-aminoquinazolin-6-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide
SMILESCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(-c2ccc3ncnc(N)c3c2)c1
InChIInChI=1S/C24H19F3N4O2/c1-13-3-4-15(10-17(13)14-5-7-19-18(9-14)22(28)30-12-29-19)23(32)31-20-11-16(24(25,26)27)6-8-21(20)33-2/h3-12H,1-2H3,(H,31,32)(H2,28,29,30)
InChIKeyMHWIMQYRYXNWJV-UHFFFAOYSA-N
XLogP5.47
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.44
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-aminoquinazolin-6-yl)-N-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 11525892
N-[2-[3-(dimethylamino)propoxy]-5-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide
CID 58830060
3-(4-aminoquinazolin-6-yl)-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 58829111
3-(2-aminoquinazolin-6-yl)-N-[2-[4-(dimethylamino)butylamino]-4-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 69465278
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide
CID 1251443
2-cyano-N-[2-methoxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 112523297
N-(2,5-dimethoxyphenyl)-3-(trifluoromethyl)benzamide
CID 531811
N-[2-[[2-(diethylamino)acetyl]amino]-5-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide
CID 15991575
3-(2-aminoquinazolin-6-yl)-4-methyl-N-[4-propan-2-yl-2-(trifluoromethyl)phenyl]benzamide
CID 58829992
3-(2-aminoquinazolin-6-yl)-N-[3-[3-(dimethylamino)propoxy]-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 58829444
methyl 4-methyl-3-[3-(trifluoromethyl)phenyl]benzoate
CID 67169724
3-(3-aminophenyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 69043668

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminoquinazolin-6-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide?
The IUPAC name of 3-(4-aminoquinazolin-6-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide (CID 58829464) is 3-(4-aminoquinazolin-6-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide.
What is the SMILES notation for 3-(4-aminoquinazolin-6-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide?
The canonical SMILES for 3-(4-aminoquinazolin-6-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide is COc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(-c2ccc3ncnc(N)c3c2)c1.
What is the InChIKey of 3-(4-aminoquinazolin-6-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide?
The InChIKey is MHWIMQYRYXNWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O2/c1-13-3-4-15(10-17(13)14-5-7-19-18(9-14)22(28)30-12-29-19)23(32)31-20-11-16(24(25,26)27)6-8-21(20)33-2/h3-12H,1-2H3,(H,31,32)(H2,28,29,30).
What are the key properties of 3-(4-aminoquinazolin-6-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide?
3-(4-aminoquinazolin-6-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide has a molecular weight of 452.44 g/mol, XLogP of 5.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminoquinazolin-6-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide is sourced from PubChem (CID 58829464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).