2-[2-(4-methylphenyl)-4-oxoquinazolin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

C24H18F3N3O2 — CID 4126046

IUPAC2-[2-(4-methylphenyl)-4-oxoquinazolin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc(-c2nc3ccccc3c(=O)n2CC(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C24H18F3N3O2/c1-15-9-11-16(12-10-15)22-29-20-8-3-2-7-19(20)23(32)30(22)14-21(31)28-18-6-4-5-17(13-18)24(25,26)27/h2-13H,14H2,1H3,(H,28,31)
InChIKeyKYHWPGJBTWLASU-UHFFFAOYSA-N
MW437.42 g/mol
LogP5.03
Rot. Bonds4

About 2-[2-(4-methylphenyl)-4-oxoquinazolin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[2-(4-methylphenyl)-4-oxoquinazolin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 4126046) has the molecular formula C24H18F3N3O2 and a molecular weight of 437.42 g/mol. Its IUPAC name is 2-[2-(4-methylphenyl)-4-oxoquinazolin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-methylphenyl)-4-oxoquinazolin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID4126046
Molecular FormulaC24H18F3N3O2
Molecular Weight437.42 g/mol
Exact Mass437.14
IUPAC Name2-[2-(4-methylphenyl)-4-oxoquinazolin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc(-c2nc3ccccc3c(=O)n2CC(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C24H18F3N3O2/c1-15-9-11-16(12-10-15)22-29-20-8-3-2-7-19(20)23(32)30(22)14-21(31)28-18-6-4-5-17(13-18)24(25,26)27/h2-13H,14H2,1H3,(H,28,31)
InChIKeyKYHWPGJBTWLASU-UHFFFAOYSA-N
XLogP5.03
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.42
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenyl)-4-oxoquinazolin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[2-(4-methylphenyl)-4-oxoquinazolin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 4126046) is 2-[2-(4-methylphenyl)-4-oxoquinazolin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(4-methylphenyl)-4-oxoquinazolin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[2-(4-methylphenyl)-4-oxoquinazolin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is Cc1ccc(-c2nc3ccccc3c(=O)n2CC(=O)Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-[2-(4-methylphenyl)-4-oxoquinazolin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is KYHWPGJBTWLASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O2/c1-15-9-11-16(12-10-15)22-29-20-8-3-2-7-19(20)23(32)30(22)14-21(31)28-18-6-4-5-17(13-18)24(25,26)27/h2-13H,14H2,1H3,(H,28,31).
What are the key properties of 2-[2-(4-methylphenyl)-4-oxoquinazolin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[2-(4-methylphenyl)-4-oxoquinazolin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 437.42 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenyl)-4-oxoquinazolin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 4126046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).