N-[4-chloro-2-methyl-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-4-yl]benzamide

C25H20ClF3N4O — CID 69465506

IUPACN-[4-chloro-2-methyl-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-4-yl]benzamide
SMILESCNc1nc(-c2cc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3C)ccc2C)c2ccccc2n1
InChIInChI=1S/C25H20ClF3N4O/c1-13-8-9-15(23(34)31-19-11-10-18(26)21(14(19)2)25(27,28)29)12-17(13)22-16-6-4-5-7-20(16)32-24(30-3)33-22/h4-12H,1-3H3,(H,31,34)(H,30,32,33)
InChIKeyOFPDVFQZIJMFLO-UHFFFAOYSA-N
MW484.91 g/mol
LogP6.88
Rot. Bonds4

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

N-[4-chloro-2-methyl-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-4-yl]benzamide (PubChem CID 69465506) has the molecular formula C25H20ClF3N4O and a molecular weight of 484.91 g/mol. Its IUPAC name is N-[4-chloro-2-methyl-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-4-yl]benzamide.

Molecular Properties

Compound NameN-[4-chloro-2-methyl-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-4-yl]benzamide
PubChem CID69465506
Molecular FormulaC25H20ClF3N4O
Molecular Weight484.91 g/mol
Exact Mass484.13
IUPAC NameN-[4-chloro-2-methyl-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-4-yl]benzamide
SMILESCNc1nc(-c2cc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3C)ccc2C)c2ccccc2n1
InChIInChI=1S/C25H20ClF3N4O/c1-13-8-9-15(23(34)31-19-11-10-18(26)21(14(19)2)25(27,28)29)12-17(13)22-16-6-4-5-7-20(16)32-24(30-3)33-22/h4-12H,1-3H3,(H,31,34)(H,30,32,33)
InChIKeyOFPDVFQZIJMFLO-UHFFFAOYSA-N
XLogP6.88
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.91
LogP ≤ 56.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-chloro-2-methyl-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-4-yl]benzamide with MolForge

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Related Compounds

3-(2-aminoquinazolin-4-yl)-N-(2,3-dichlorophenyl)-4-methylbenzamide
CID 71268346
3-(2-aminoquinazolin-4-yl)-4-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 71268372
4-[[4-(2,3-dichlorophenyl)quinazolin-2-yl]amino]-N-[5-[(dimethylamino)methyl]-2-methylphenyl]benzamide
CID 25073323
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 41077190
2-(2,5-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 2220779
3-chloro-N-(2-methylquinolin-4-yl)benzamide
CID 4298030
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-chloro-4-methylbenzamide
CID 17132014
4-methyl-3-[[4-(4-phenylquinazolin-2-yl)benzoyl]amino]benzoic acid
CID 174610265
N-(2-chlorophenyl)-3-methyl-4-(methylamino)benzamide
CID 63210368
N-[2-[[2-(diethylamino)acetyl]amino]-5-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide
CID 15991575
4-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]-3-[2-(pyridin-3-ylamino)quinazolin-6-yl]benzamide
CID 58830110
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide
CID 5054651

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-methyl-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-4-yl]benzamide?
The IUPAC name of N-[4-chloro-2-methyl-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-4-yl]benzamide (CID 69465506) is N-[4-chloro-2-methyl-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-4-yl]benzamide.
What is the SMILES notation for N-[4-chloro-2-methyl-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-4-yl]benzamide?
The canonical SMILES for N-[4-chloro-2-methyl-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-4-yl]benzamide is CNc1nc(-c2cc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3C)ccc2C)c2ccccc2n1.
What is the InChIKey of N-[4-chloro-2-methyl-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-4-yl]benzamide?
The InChIKey is OFPDVFQZIJMFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClF3N4O/c1-13-8-9-15(23(34)31-19-11-10-18(26)21(14(19)2)25(27,28)29)12-17(13)22-16-6-4-5-7-20(16)32-24(30-3)33-22/h4-12H,1-3H3,(H,31,34)(H,30,32,33).
What are the key properties of N-[4-chloro-2-methyl-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-4-yl]benzamide?
N-[4-chloro-2-methyl-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-4-yl]benzamide has a molecular weight of 484.91 g/mol, XLogP of 6.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-methyl-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-4-yl]benzamide is sourced from PubChem (CID 69465506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).