N-benzyl-N-methyl-2-[3-(trifluoromethyl)phenyl]quinazolin-4-amine

C23H18F3N3 — CID 24720107

IUPACN-benzyl-N-methyl-2-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESCN(Cc1ccccc1)c1nc(-c2cccc(C(F)(F)F)c2)nc2ccccc12
InChIInChI=1S/C23H18F3N3/c1-29(15-16-8-3-2-4-9-16)22-19-12-5-6-13-20(19)27-21(28-22)17-10-7-11-18(14-17)23(24,25)26/h2-14H,15H2,1H3
InChIKeyBUYIFGLNYPSWIY-UHFFFAOYSA-N
MW393.41 g/mol
LogP5.95
Rot. Bonds4

About N-benzyl-N-methyl-2-[3-(trifluoromethyl)phenyl]quinazolin-4-amine

N-benzyl-N-methyl-2-[3-(trifluoromethyl)phenyl]quinazolin-4-amine (PubChem CID 24720107) has the molecular formula C23H18F3N3 and a molecular weight of 393.41 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[3-(trifluoromethyl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
PubChem CID24720107
Molecular FormulaC23H18F3N3
Molecular Weight393.41 g/mol
Exact Mass393.15
IUPAC NameN-benzyl-N-methyl-2-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESCN(Cc1ccccc1)c1nc(-c2cccc(C(F)(F)F)c2)nc2ccccc12
InChIInChI=1S/C23H18F3N3/c1-29(15-16-8-3-2-4-9-16)22-19-12-5-6-13-20(19)27-21(28-22)17-10-7-11-18(14-17)23(24,25)26/h2-14H,15H2,1H3
InChIKeyBUYIFGLNYPSWIY-UHFFFAOYSA-N
XLogP5.95
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.41
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Spautin-1
CID 51037431
N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
4-Methyl-2-(1-piperidinyl)quinoline
CID 230710
N-Benzyl-2-phenyl-4-quinazolinamine
CID 780643
(6,7-Difluoro-quinazolin-4-YL)-(1-methyl-2,2-diphenyl-ethyl)-amine
CID 5496989
N-Benzylquinazolin-4-amine
CID 616573
Importazole
CID 2949965
2,4,7,9-Tetramethylbenzo[b][1,8]naphthyridin-5-amine
CID 765471
4-Phenyl-2-(piperazin-1-yl)quinazoline
CID 3763388
4-Phenylquinazoline
CID 262952
6-(3-aminophenyl)-N-tert-butyl-2-(trifluoromethyl)quinazolin-4-amine
CID 5288016
N-(2-phenylethyl)quinazolin-4-amine
CID 198909

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-[3-(trifluoromethyl)phenyl]quinazolin-4-amine?
The IUPAC name of N-benzyl-N-methyl-2-[3-(trifluoromethyl)phenyl]quinazolin-4-amine (CID 24720107) is N-benzyl-N-methyl-2-[3-(trifluoromethyl)phenyl]quinazolin-4-amine.
What is the SMILES notation for N-benzyl-N-methyl-2-[3-(trifluoromethyl)phenyl]quinazolin-4-amine?
The canonical SMILES for N-benzyl-N-methyl-2-[3-(trifluoromethyl)phenyl]quinazolin-4-amine is CN(Cc1ccccc1)c1nc(-c2cccc(C(F)(F)F)c2)nc2ccccc12.
What is the InChIKey of N-benzyl-N-methyl-2-[3-(trifluoromethyl)phenyl]quinazolin-4-amine?
The InChIKey is BUYIFGLNYPSWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3/c1-29(15-16-8-3-2-4-9-16)22-19-12-5-6-13-20(19)27-21(28-22)17-10-7-11-18(14-17)23(24,25)26/h2-14H,15H2,1H3.
What are the key properties of N-benzyl-N-methyl-2-[3-(trifluoromethyl)phenyl]quinazolin-4-amine?
N-benzyl-N-methyl-2-[3-(trifluoromethyl)phenyl]quinazolin-4-amine has a molecular weight of 393.41 g/mol, XLogP of 5.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-[3-(trifluoromethyl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 24720107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).