N-methyl-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide

C20H18F3N3O4 — CID 136756659

IUPACN-methyl-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESCN(Cc1ccccc1OC(F)(F)F)C(=O)COCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C20H18F3N3O4/c1-26(10-13-6-2-5-9-16(13)30-20(21,22)23)18(27)12-29-11-17-24-15-8-4-3-7-14(15)19(28)25-17/h2-9H,10-12H2,1H3,(H,24,25,28)
InChIKeyJUCVWLSKNXHVBS-UHFFFAOYSA-N
MW421.38 g/mol
LogP3.00
Rot. Bonds7

About N-methyl-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide

N-methyl-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide (PubChem CID 136756659) has the molecular formula C20H18F3N3O4 and a molecular weight of 421.38 g/mol. Its IUPAC name is N-methyl-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
PubChem CID136756659
Molecular FormulaC20H18F3N3O4
Molecular Weight421.38 g/mol
Exact Mass421.12
IUPAC NameN-methyl-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESCN(Cc1ccccc1OC(F)(F)F)C(=O)COCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C20H18F3N3O4/c1-26(10-13-6-2-5-9-16(13)30-20(21,22)23)18(27)12-29-11-17-24-15-8-4-3-7-14(15)19(28)25-17/h2-9H,10-12H2,1H3,(H,24,25,28)
InChIKeyJUCVWLSKNXHVBS-UHFFFAOYSA-N
XLogP3.00
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide with MolForge

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Related Compounds

N-methyl-2-naphthalen-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135690319
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 119278536
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119278535
2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135756594
N-[(2,3-dimethoxyphenyl)methyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-methylacetamide
CID 135808188
2-(3,3,3-trifluoro-2-oxopropyl)-3H-quinazolin-4-one
CID 135509807
3-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119278533
N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 135690330
N-methyl-2-methylsulfanyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135951735
N-[(2,4-difluorophenyl)methyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137278099
N-methyl-2-(4-methylphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135875449
2-(4-fluorophenyl)sulfanyl-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135549167

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The IUPAC name of N-methyl-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide (CID 136756659) is N-methyl-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for N-methyl-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The canonical SMILES for N-methyl-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide is CN(Cc1ccccc1OC(F)(F)F)C(=O)COCc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-methyl-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The InChIKey is JUCVWLSKNXHVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O4/c1-26(10-13-6-2-5-9-16(13)30-20(21,22)23)18(27)12-29-11-17-24-15-8-4-3-7-14(15)19(28)25-17/h2-9H,10-12H2,1H3,(H,24,25,28).
What are the key properties of N-methyl-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
N-methyl-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide has a molecular weight of 421.38 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 136756659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).