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

C24H18F3N3O2 — CID 126476982

IUPAC2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1cccc(-c2nc3ccccc3c(=O)n2CC(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C24H18F3N3O2/c1-15-6-4-7-16(12-15)22-29-20-11-3-2-10-19(20)23(32)30(22)14-21(31)28-18-9-5-8-17(13-18)24(25,26)27/h2-13H,14H2,1H3,(H,28,31)
InChIKeyOPJJNTGFVFDOSO-UHFFFAOYSA-N
MW437.42 g/mol
LogP5.03
Rot. Bonds4

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

2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 126476982) has the molecular formula C24H18F3N3O2 and a molecular weight of 437.42 g/mol. Its IUPAC name is 2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID126476982
Molecular FormulaC24H18F3N3O2
Molecular Weight437.42 g/mol
Exact Mass437.14
IUPAC Name2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1cccc(-c2nc3ccccc3c(=O)n2CC(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C24H18F3N3O2/c1-15-6-4-7-16(12-15)22-29-20-11-3-2-10-19(20)23(32)30(22)14-21(31)28-18-9-5-8-17(13-18)24(25,26)27/h2-13H,14H2,1H3,(H,28,31)
InChIKeyOPJJNTGFVFDOSO-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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Related Compounds

2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 84572802
2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 17032986
2-[2-(3-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 28529731
N,N-diethyl-2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]acetamide
CID 4079953
N-[(3-methylphenyl)carbamothioyl]-3-(4-oxo-2-phenylquinazolin-3-yl)propanamide
CID 3055155
2-[3-[[4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-3-yl]iminomethyl]indol-1-yl]-N-phenylacetamide
CID 126303562
3-amino-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 176686122
N-(4-methoxyphenyl)-2-[2-(3-methylphenyl)benzimidazol-1-yl]acetamide
CID 17032844
2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 17031747
N-[(4-methylphenyl)carbamothioyl]-2-(4-oxo-2-phenylquinazolin-3-yl)acetamide
CID 3055152
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 4903059
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2904511

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 126476982) is 2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is Cc1cccc(-c2nc3ccccc3c(=O)n2CC(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is OPJJNTGFVFDOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O2/c1-15-6-4-7-16(12-15)22-29-20-11-3-2-10-19(20)23(32)30(22)14-21(31)28-18-9-5-8-17(13-18)24(25,26)27/h2-13H,14H2,1H3,(H,28,31).
What are the key properties of 2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[2-(3-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-(3-methylphenyl)-4-oxoquinazolin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 126476982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).