2-(6-methyl-4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

C18H14F3N3O2 — CID 55733182

IUPAC2-(6-methyl-4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc2ncn(CC(=O)Nc3ccccc3C(F)(F)F)c(=O)c2c1
InChIInChI=1S/C18H14F3N3O2/c1-11-6-7-14-12(8-11)17(26)24(10-22-14)9-16(25)23-15-5-3-2-4-13(15)18(19,20)21/h2-8,10H,9H2,1H3,(H,23,25)
InChIKeyYNYHJSGMHAPWBG-UHFFFAOYSA-N
MW361.32 g/mol
LogP3.36
Rot. Bonds3

About 2-(6-methyl-4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

2-(6-methyl-4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 55733182) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is 2-(6-methyl-4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(6-methyl-4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID55733182
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC Name2-(6-methyl-4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc2ncn(CC(=O)Nc3ccccc3C(F)(F)F)c(=O)c2c1
InChIInChI=1S/C18H14F3N3O2/c1-11-6-7-14-12(8-11)17(26)24(10-22-14)9-16(25)23-15-5-3-2-4-13(15)18(19,20)21/h2-8,10H,9H2,1H3,(H,23,25)
InChIKeyYNYHJSGMHAPWBG-UHFFFAOYSA-N
XLogP3.36
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 15992263
3-(4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 4870595
N-(2-chloro-4-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874794
2-[3-(4-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 46396599
2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 25284271
2-[2-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-N-methylacetamide
CID 55760929
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2904511
3-(3,3-dimethyl-2-oxobutyl)-6-methylquinazolin-4-one
CID 47037899
N-(4-chloro-2-methylphenyl)-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
CID 3475689
N-(2-benzylphenyl)-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
CID 7488437
N-(2-fluorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 4826132
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2701434

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(6-methyl-4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide (CID 55733182) is 2-(6-methyl-4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(6-methyl-4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(6-methyl-4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide is Cc1ccc2ncn(CC(=O)Nc3ccccc3C(F)(F)F)c(=O)c2c1.
What is the InChIKey of 2-(6-methyl-4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YNYHJSGMHAPWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c1-11-6-7-14-12(8-11)17(26)24(10-22-14)9-16(25)23-15-5-3-2-4-13(15)18(19,20)21/h2-8,10H,9H2,1H3,(H,23,25).
What are the key properties of 2-(6-methyl-4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(6-methyl-4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 361.32 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 55733182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).