6-fluoro-N-phenyl-2-(trifluoromethyl)quinazolin-4-amine

C15H9F4N3 — CID 110434628

IUPAC6-fluoro-N-phenyl-2-(trifluoromethyl)quinazolin-4-amine
SMILESFc1ccc2nc(C(F)(F)F)nc(Nc3ccccc3)c2c1
InChIInChI=1S/C15H9F4N3/c16-9-6-7-12-11(8-9)13(20-10-4-2-1-3-5-10)22-14(21-12)15(17,18)19/h1-8H,(H,20,21,22)
InChIKeyPYCCGBKSNPWYNV-UHFFFAOYSA-N
MW307.25 g/mol
LogP4.53
Rot. Bonds2

About 6-fluoro-N-phenyl-2-(trifluoromethyl)quinazolin-4-amine

6-fluoro-N-phenyl-2-(trifluoromethyl)quinazolin-4-amine (PubChem CID 110434628) has the molecular formula C15H9F4N3 and a molecular weight of 307.25 g/mol. Its IUPAC name is 6-fluoro-N-phenyl-2-(trifluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-phenyl-2-(trifluoromethyl)quinazolin-4-amine
PubChem CID110434628
Molecular FormulaC15H9F4N3
Molecular Weight307.25 g/mol
Exact Mass307.07
IUPAC Name6-fluoro-N-phenyl-2-(trifluoromethyl)quinazolin-4-amine
SMILESFc1ccc2nc(C(F)(F)F)nc(Nc3ccccc3)c2c1
InChIInChI=1S/C15H9F4N3/c16-9-6-7-12-11(8-9)13(20-10-4-2-1-3-5-10)22-14(21-12)15(17,18)19/h1-8H,(H,20,21,22)
InChIKeyPYCCGBKSNPWYNV-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

1-N-[6-fluoro-2-(trifluoromethyl)quinazolin-4-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 110434640
N-(4-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 32677860
N-(3-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 21003222
N-(3-fluorophenyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine
CID 21003598
N-butyl-6-fluoro-2-(trifluoromethyl)quinazolin-4-amine
CID 110431648
6-methyl-N-phenyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430600
4-chloro-6-fluoro-2-(trifluoromethyl)quinazoline
CID 34176284
6-fluoro-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 110431666
3-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]benzonitrile
CID 21003373
methyl 3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzoate
CID 71689070
N-(3-chloro-4-fluorophenyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine
CID 21003580
2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]phenol
CID 21003212

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-phenyl-2-(trifluoromethyl)quinazolin-4-amine?
The IUPAC name of 6-fluoro-N-phenyl-2-(trifluoromethyl)quinazolin-4-amine (CID 110434628) is 6-fluoro-N-phenyl-2-(trifluoromethyl)quinazolin-4-amine.
What is the SMILES notation for 6-fluoro-N-phenyl-2-(trifluoromethyl)quinazolin-4-amine?
The canonical SMILES for 6-fluoro-N-phenyl-2-(trifluoromethyl)quinazolin-4-amine is Fc1ccc2nc(C(F)(F)F)nc(Nc3ccccc3)c2c1.
What is the InChIKey of 6-fluoro-N-phenyl-2-(trifluoromethyl)quinazolin-4-amine?
The InChIKey is PYCCGBKSNPWYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F4N3/c16-9-6-7-12-11(8-9)13(20-10-4-2-1-3-5-10)22-14(21-12)15(17,18)19/h1-8H,(H,20,21,22).
What are the key properties of 6-fluoro-N-phenyl-2-(trifluoromethyl)quinazolin-4-amine?
6-fluoro-N-phenyl-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 6-fluoro-N-phenyl-2-(trifluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 110434628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).