N-(3-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine

C15H9F4N3 — CID 21003222

IUPACN-(3-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine
SMILESFc1cccc(Nc2nc(C(F)(F)F)nc3ccccc23)c1
InChIInChI=1S/C15H9F4N3/c16-9-4-3-5-10(8-9)20-13-11-6-1-2-7-12(11)21-14(22-13)15(17,18)19/h1-8H,(H,20,21,22)
InChIKeyQVKWLABMZKHCDM-UHFFFAOYSA-N
MW307.25 g/mol
LogP4.53
Rot. Bonds2

About N-(3-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine

N-(3-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine (PubChem CID 21003222) has the molecular formula C15H9F4N3 and a molecular weight of 307.25 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine
PubChem CID21003222
Molecular FormulaC15H9F4N3
Molecular Weight307.25 g/mol
Exact Mass307.07
IUPAC NameN-(3-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine
SMILESFc1cccc(Nc2nc(C(F)(F)F)nc3ccccc23)c1
InChIInChI=1S/C15H9F4N3/c16-9-4-3-5-10(8-9)20-13-11-6-1-2-7-12(11)21-14(22-13)15(17,18)19/h1-8H,(H,20,21,22)
InChIKeyQVKWLABMZKHCDM-UHFFFAOYSA-N
XLogP4.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.25
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine
CID 21003598
N-(4-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 32677860
6-fluoro-N-phenyl-2-(trifluoromethyl)quinazolin-4-amine
CID 110434628
methyl 3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzoate
CID 71689070
2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]phenol
CID 21003212
[2-(trifluoromethyl)quinazolin-4-yl]hydrazine
CID 1475464
N-(2-methylphenyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 70704050
N,N,2-trimethyl-5-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide
CID 17451276
N-ethyl-2-(trifluoromethyl)quinazolin-4-amine
CID 21003229
N-(2-methylpropyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 155520248
7-methoxy-2-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 7719355
3-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]benzonitrile
CID 21003373

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine?
The IUPAC name of N-(3-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine (CID 21003222) is N-(3-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine.
What is the SMILES notation for N-(3-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine?
The canonical SMILES for N-(3-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine is Fc1cccc(Nc2nc(C(F)(F)F)nc3ccccc23)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine?
The InChIKey is QVKWLABMZKHCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F4N3/c16-9-4-3-5-10(8-9)20-13-11-6-1-2-7-12(11)21-14(22-13)15(17,18)19/h1-8H,(H,20,21,22).
What are the key properties of N-(3-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine?
N-(3-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine has a molecular weight of 307.25 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 21003222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).