1-N-[6-fluoro-2-(trifluoromethyl)quinazolin-4-yl]-4-N,4-N-dimethylbenzene-1,4-diamine

C17H14F4N4 — CID 110434640

IUPAC1-N-[6-fluoro-2-(trifluoromethyl)quinazolin-4-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(Nc2nc(C(F)(F)F)nc3ccc(F)cc23)cc1
InChIInChI=1S/C17H14F4N4/c1-25(2)12-6-4-11(5-7-12)22-15-13-9-10(18)3-8-14(13)23-16(24-15)17(19,20)21/h3-9H,1-2H3,(H,22,23,24)
InChIKeyFRGHNWSGXARUOZ-UHFFFAOYSA-N
MW350.32 g/mol
LogP4.60
Rot. Bonds3

About 1-N-[6-fluoro-2-(trifluoromethyl)quinazolin-4-yl]-4-N,4-N-dimethylbenzene-1,4-diamine

1-N-[6-fluoro-2-(trifluoromethyl)quinazolin-4-yl]-4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 110434640) has the molecular formula C17H14F4N4 and a molecular weight of 350.32 g/mol. Its IUPAC name is 1-N-[6-fluoro-2-(trifluoromethyl)quinazolin-4-yl]-4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[6-fluoro-2-(trifluoromethyl)quinazolin-4-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID110434640
Molecular FormulaC17H14F4N4
Molecular Weight350.32 g/mol
Exact Mass350.12
IUPAC Name1-N-[6-fluoro-2-(trifluoromethyl)quinazolin-4-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(Nc2nc(C(F)(F)F)nc3ccc(F)cc23)cc1
InChIInChI=1S/C17H14F4N4/c1-25(2)12-6-4-11(5-7-12)22-15-13-9-10(18)3-8-14(13)23-16(24-15)17(19,20)21/h3-9H,1-2H3,(H,22,23,24)
InChIKeyFRGHNWSGXARUOZ-UHFFFAOYSA-N
XLogP4.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.32
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-N-phenyl-2-(trifluoromethyl)quinazolin-4-amine
CID 110434628
N-(4-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 32677860
N-(3-fluorophenyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine
CID 21003598
N-butyl-6-fluoro-2-(trifluoromethyl)quinazolin-4-amine
CID 110431648
N-(3-chloro-4-fluorophenyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine
CID 21003580
1-N-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 106767240
N-(3-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 21003222
4-chloro-6-fluoro-2-(trifluoromethyl)quinazoline
CID 34176284
N-(1,3-benzodioxol-5-yl)-6-bromo-2-(trifluoromethyl)quinazolin-4-amine
CID 21003314
3-N,3-N-dimethyl-1-N-[6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]benzene-1,3-diamine
CID 110431058
6-fluoro-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 110431666
N,N,2-trimethyl-5-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide
CID 17451276

Frequently Asked Questions

What is the IUPAC name of 1-N-[6-fluoro-2-(trifluoromethyl)quinazolin-4-yl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 1-N-[6-fluoro-2-(trifluoromethyl)quinazolin-4-yl]-4-N,4-N-dimethylbenzene-1,4-diamine (CID 110434640) is 1-N-[6-fluoro-2-(trifluoromethyl)quinazolin-4-yl]-4-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-[6-fluoro-2-(trifluoromethyl)quinazolin-4-yl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-[6-fluoro-2-(trifluoromethyl)quinazolin-4-yl]-4-N,4-N-dimethylbenzene-1,4-diamine is CN(C)c1ccc(Nc2nc(C(F)(F)F)nc3ccc(F)cc23)cc1.
What is the InChIKey of 1-N-[6-fluoro-2-(trifluoromethyl)quinazolin-4-yl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is FRGHNWSGXARUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F4N4/c1-25(2)12-6-4-11(5-7-12)22-15-13-9-10(18)3-8-14(13)23-16(24-15)17(19,20)21/h3-9H,1-2H3,(H,22,23,24).
What are the key properties of 1-N-[6-fluoro-2-(trifluoromethyl)quinazolin-4-yl]-4-N,4-N-dimethylbenzene-1,4-diamine?
1-N-[6-fluoro-2-(trifluoromethyl)quinazolin-4-yl]-4-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 350.32 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[6-fluoro-2-(trifluoromethyl)quinazolin-4-yl]-4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 110434640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).