2-[methyl-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide

C20H19F3N4O2 — CID 135808998

IUPAC2-[methyl-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESC[C@H](c1nc2ccccc2c(=O)[nH]1)N(C)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C20H19F3N4O2/c1-12(18-25-15-9-5-3-7-13(15)19(29)26-18)27(2)11-17(28)24-16-10-6-4-8-14(16)20(21,22)23/h3-10,12H,11H2,1-2H3,(H,24,28)(H,25,26,29)/t12-/m1/s1
InChIKeyKXAFNGVOKJYPJJ-GFCCVEGCSA-N
MW404.39 g/mol
LogP3.57
Rot. Bonds5

About 2-[methyl-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[methyl-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 135808998) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is 2-[methyl-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[methyl-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID135808998
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC Name2-[methyl-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESC[C@H](c1nc2ccccc2c(=O)[nH]1)N(C)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C20H19F3N4O2/c1-12(18-25-15-9-5-3-7-13(15)19(29)26-18)27(2)11-17(28)24-16-10-6-4-8-14(16)20(21,22)23/h3-10,12H,11H2,1-2H3,(H,24,28)(H,25,26,29)/t12-/m1/s1
InChIKeyKXAFNGVOKJYPJJ-GFCCVEGCSA-N
XLogP3.57
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[methyl-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide with MolForge

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Related Compounds

2-[methyl-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]-N-propylacetamide
CID 135809027
2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanoic acid
CID 119913712
2-[(1R)-1-[ethyl(methyl)amino]ethyl]-3H-quinazolin-4-one
CID 136877593
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
2-[[methyl-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]methyl]-3H-quinazolin-4-one
CID 135854712
2-[(1R)-1-[methyl-[(1S)-1-phenylethyl]amino]ethyl]-3H-quinazolin-4-one
CID 136794259
2-[1-cyanopropan-2-yl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 78889854
2-[methyl-[2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-2-oxoethyl]amino]propanoic acid
CID 119913186
N-(2-fluorophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135473828
2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3150750
2-[benzyl(methyl)amino]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 42919555
2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 4882542

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[methyl-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 135808998) is 2-[methyl-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[methyl-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[methyl-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide is C[C@H](c1nc2ccccc2c(=O)[nH]1)N(C)CC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[methyl-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is KXAFNGVOKJYPJJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c1-12(18-25-15-9-5-3-7-13(15)19(29)26-18)27(2)11-17(28)24-16-10-6-4-8-14(16)20(21,22)23/h3-10,12H,11H2,1-2H3,(H,24,28)(H,25,26,29)/t12-/m1/s1.
What are the key properties of 2-[methyl-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[methyl-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 404.39 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 135808998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).