8-fluoro-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)quinazolin-4-amine

C14H13F4N3O — CID 110431777

IUPAC8-fluoro-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)quinazolin-4-amine
SMILESFc1cccc2c(NCC3CCCO3)nc(C(F)(F)F)nc12
InChIInChI=1S/C14H13F4N3O/c15-10-5-1-4-9-11(10)20-13(14(16,17)18)21-12(9)19-7-8-3-2-6-22-8/h1,4-5,8H,2-3,6-7H2,(H,19,20,21)
InChIKeyASPKAKKHUNJSFJ-UHFFFAOYSA-N
MW315.27 g/mol
LogP3.38
Rot. Bonds3

About 8-fluoro-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)quinazolin-4-amine

8-fluoro-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)quinazolin-4-amine (PubChem CID 110431777) has the molecular formula C14H13F4N3O and a molecular weight of 315.27 g/mol. Its IUPAC name is 8-fluoro-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound Name8-fluoro-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)quinazolin-4-amine
PubChem CID110431777
Molecular FormulaC14H13F4N3O
Molecular Weight315.27 g/mol
Exact Mass315.10
IUPAC Name8-fluoro-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)quinazolin-4-amine
SMILESFc1cccc2c(NCC3CCCO3)nc(C(F)(F)F)nc12
InChIInChI=1S/C14H13F4N3O/c15-10-5-1-4-9-11(10)20-13(14(16,17)18)21-12(9)19-7-8-3-2-6-22-8/h1,4-5,8H,2-3,6-7H2,(H,19,20,21)
InChIKeyASPKAKKHUNJSFJ-UHFFFAOYSA-N
XLogP3.38
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.27
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine
CID 2928261
2-N-(2-fluorophenyl)-4-N-[[(2S)-oxolan-2-yl]methyl]quinazoline-2,4-diamine
CID 705353
N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 43103022
2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-amine
CID 715619
2-bromo-6-fluoro-N-(oxolan-2-ylmethyl)aniline
CID 107598059
2-(oxolan-2-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966425
4-(oxolan-2-ylmethylamino)-1H-quinazoline-2-thione
CID 23827546
N-(oxolan-2-ylmethyl)-2-piperidin-1-ylquinazolin-4-amine
CID 3156007
2-fluoro-4-[2-[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]ethyl]phenol
CID 123240505
N-[[(2S)-oxolan-2-yl]methyl]-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-amine
CID 92666906
3-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62254757
4-fluoro-N-(oxan-2-ylmethyl)-3-(trifluoromethyl)aniline
CID 61229201

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)quinazolin-4-amine?
The IUPAC name of 8-fluoro-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)quinazolin-4-amine (CID 110431777) is 8-fluoro-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)quinazolin-4-amine.
What is the SMILES notation for 8-fluoro-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)quinazolin-4-amine?
The canonical SMILES for 8-fluoro-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)quinazolin-4-amine is Fc1cccc2c(NCC3CCCO3)nc(C(F)(F)F)nc12.
What is the InChIKey of 8-fluoro-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)quinazolin-4-amine?
The InChIKey is ASPKAKKHUNJSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4N3O/c15-10-5-1-4-9-11(10)20-13(14(16,17)18)21-12(9)19-7-8-3-2-6-22-8/h1,4-5,8H,2-3,6-7H2,(H,19,20,21).
What are the key properties of 8-fluoro-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)quinazolin-4-amine?
8-fluoro-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)quinazolin-4-amine has a molecular weight of 315.27 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 110431777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).