N-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide

C23H17F3N4O — CID 25138148

IUPACN-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc2nc(N)ncc2c1
InChIInChI=1S/C23H17F3N4O/c1-13-5-7-18(29-21(31)15-3-2-4-17(10-15)23(24,25)26)11-19(13)14-6-8-20-16(9-14)12-28-22(27)30-20/h2-12H,1H3,(H,29,31)(H2,27,28,30)
InChIKeySLDNXLAQRVJNJO-UHFFFAOYSA-N
MW422.41 g/mol
LogP5.46
Rot. Bonds3

About N-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide

N-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide (PubChem CID 25138148) has the molecular formula C23H17F3N4O and a molecular weight of 422.41 g/mol. Its IUPAC name is N-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
PubChem CID25138148
Molecular FormulaC23H17F3N4O
Molecular Weight422.41 g/mol
Exact Mass422.14
IUPAC NameN-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc2nc(N)ncc2c1
InChIInChI=1S/C23H17F3N4O/c1-13-5-7-18(29-21(31)15-3-2-4-17(10-15)23(24,25)26)11-19(13)14-6-8-20-16(9-14)12-28-22(27)30-20/h2-12H,1H3,(H,29,31)(H2,27,28,30)
InChIKeySLDNXLAQRVJNJO-UHFFFAOYSA-N
XLogP5.46
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.41
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide (CID 25138148) is N-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc2nc(N)ncc2c1.
What is the InChIKey of N-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is SLDNXLAQRVJNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O/c1-13-5-7-18(29-21(31)15-3-2-4-17(10-15)23(24,25)26)11-19(13)14-6-8-20-16(9-14)12-28-22(27)30-20/h2-12H,1H3,(H,29,31)(H2,27,28,30).
What are the key properties of N-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide?
N-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 422.41 g/mol, XLogP of 5.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 25138148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).