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

C24H20F3N3 — CID 46085852

IUPACN-benzyl-N-ethyl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESCCN(Cc1ccccc1)c1nc(-c2ccccc2C(F)(F)F)nc2ccccc12
InChIInChI=1S/C24H20F3N3/c1-2-30(16-17-10-4-3-5-11-17)23-19-13-7-9-15-21(19)28-22(29-23)18-12-6-8-14-20(18)24(25,26)27/h3-15H,2,16H2,1H3
InChIKeyKGTDAFIUFAIJNY-UHFFFAOYSA-N
MW407.44 g/mol
LogP6.34
Rot. Bonds5

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

N-benzyl-N-ethyl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine (PubChem CID 46085852) has the molecular formula C24H20F3N3 and a molecular weight of 407.44 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
PubChem CID46085852
Molecular FormulaC24H20F3N3
Molecular Weight407.44 g/mol
Exact Mass407.16
IUPAC NameN-benzyl-N-ethyl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESCCN(Cc1ccccc1)c1nc(-c2ccccc2C(F)(F)F)nc2ccccc12
InChIInChI=1S/C24H20F3N3/c1-2-30(16-17-10-4-3-5-11-17)23-19-13-7-9-15-21(19)28-22(29-23)18-12-6-8-14-20(18)24(25,26)27/h3-15H,2,16H2,1H3
InChIKeyKGTDAFIUFAIJNY-UHFFFAOYSA-N
XLogP6.34
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.44
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-difluorophenyl)-N,N-diethylquinazolin-4-amine
CID 59212907
2-N-benzyl-2-N-ethyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112893092
2-(4-chlorophenyl)-N,N-diethylquinazolin-4-amine
CID 899344
N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 10179090
N-[(4-pyridin-4-ylphenyl)methyl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 50898222
N-(2-thiophen-2-ylethyl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 166632975
1-N,1-N-diethyl-7-methyl-6-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 11156779
N-(2-methylsulfanyl-4,5-dihydropyrimidin-6-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 142127517
2-[4-(diethylamino)phenyl]-N,N-dimethylquinazolin-4-amine
CID 130369805
1-N,1-N-dibenzyl-7-methyl-6-[2-(trifluoromethyl)phenyl]pyrrolo[3,2-f]quinazoline-1,3-diamine;2,2,2-trifluoroacetic acid
CID 21106367
2-[2-(trifluoromethyl)phenyl]quinazoline
CID 67571901
3-[benzyl-[2-(4-methoxyphenyl)quinazolin-4-yl]amino]propanoic acid
CID 42809427

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The IUPAC name of N-benzyl-N-ethyl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine (CID 46085852) is N-benzyl-N-ethyl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine.
What is the SMILES notation for N-benzyl-N-ethyl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The canonical SMILES for N-benzyl-N-ethyl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine is CCN(Cc1ccccc1)c1nc(-c2ccccc2C(F)(F)F)nc2ccccc12.
What is the InChIKey of N-benzyl-N-ethyl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The InChIKey is KGTDAFIUFAIJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3/c1-2-30(16-17-10-4-3-5-11-17)23-19-13-7-9-15-21(19)28-22(29-23)18-12-6-8-14-20(18)24(25,26)27/h3-15H,2,16H2,1H3.
What are the key properties of N-benzyl-N-ethyl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
N-benzyl-N-ethyl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine has a molecular weight of 407.44 g/mol, XLogP of 6.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 46085852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).