N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]benzamide

C24H18F3N3O2 — CID 135935168

IUPACN-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H18F3N3O2/c1-30(14-21-28-20-9-5-4-8-19(20)22(31)29-21)23(32)18-7-3-2-6-17(18)15-10-12-16(13-11-15)24(25,26)27/h2-13H,14H2,1H3,(H,28,29,31)
InChIKeyFUVXFYMUDFKHAM-UHFFFAOYSA-N
MW437.42 g/mol
LogP4.88
Rot. Bonds4

About N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]benzamide

N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 135935168) has the molecular formula C24H18F3N3O2 and a molecular weight of 437.42 g/mol. Its IUPAC name is N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID135935168
Molecular FormulaC24H18F3N3O2
Molecular Weight437.42 g/mol
Exact Mass437.14
IUPAC NameN-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H18F3N3O2/c1-30(14-21-28-20-9-5-4-8-19(20)22(31)29-21)23(32)18-7-3-2-6-17(18)15-10-12-16(13-11-15)24(25,26)27/h2-13H,14H2,1H3,(H,28,29,31)
InChIKeyFUVXFYMUDFKHAM-UHFFFAOYSA-N
XLogP4.88
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.42
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135934005
2-methoxy-N-methyl-4-methylsulfanyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135622288
(E)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 135821128
N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-3-carboxamide
CID 135941989
2-[[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-3H-quinazolin-4-one
CID 135889564
N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 135899747
N,2,5-trimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide
CID 135877066
N-butyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 135935998
(2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-N,3-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide
CID 137269196
N,3-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide
CID 135570319
3-chloro-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135570413
4-methyl-N-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 135903821

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]benzamide (CID 135935168) is N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]benzamide is CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is FUVXFYMUDFKHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O2/c1-30(14-21-28-20-9-5-4-8-19(20)22(31)29-21)23(32)18-7-3-2-6-17(18)15-10-12-16(13-11-15)24(25,26)27/h2-13H,14H2,1H3,(H,28,29,31).
What are the key properties of N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 437.42 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 135935168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).