8-fluoro-N-(2-methoxyethyl)-2-(trifluoromethyl)quinazolin-4-amine

C12H11F4N3O — CID 110431775

IUPAC8-fluoro-N-(2-methoxyethyl)-2-(trifluoromethyl)quinazolin-4-amine
SMILESCOCCNc1nc(C(F)(F)F)nc2c(F)cccc12
InChIInChI=1S/C12H11F4N3O/c1-20-6-5-17-10-7-3-2-4-8(13)9(7)18-11(19-10)12(14,15)16/h2-4H,5-6H2,1H3,(H,17,18,19)
InChIKeyHHLUJRJGKGBQCW-UHFFFAOYSA-N
MW289.23 g/mol
LogP2.85
Rot. Bonds4

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

8-fluoro-N-(2-methoxyethyl)-2-(trifluoromethyl)quinazolin-4-amine (PubChem CID 110431775) has the molecular formula C12H11F4N3O and a molecular weight of 289.23 g/mol. Its IUPAC name is 8-fluoro-N-(2-methoxyethyl)-2-(trifluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound Name8-fluoro-N-(2-methoxyethyl)-2-(trifluoromethyl)quinazolin-4-amine
PubChem CID110431775
Molecular FormulaC12H11F4N3O
Molecular Weight289.23 g/mol
Exact Mass289.08
IUPAC Name8-fluoro-N-(2-methoxyethyl)-2-(trifluoromethyl)quinazolin-4-amine
SMILESCOCCNc1nc(C(F)(F)F)nc2c(F)cccc12
InChIInChI=1S/C12H11F4N3O/c1-20-6-5-17-10-7-3-2-4-8(13)9(7)18-11(19-10)12(14,15)16/h2-4H,5-6H2,1H3,(H,17,18,19)
InChIKeyHHLUJRJGKGBQCW-UHFFFAOYSA-N
XLogP2.85
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.23
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-fluoro-N-hexyl-2-(trifluoromethyl)quinazolin-4-amine
CID 110431796
8-fluoro-N,N-bis(2-methoxyethyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 110433571
7,8-dimethoxy-N-(3-methoxypropyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 110431469
8-fluoro-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 110431777
N-[(8-fluoro-2-methylquinolin-4-yl)methyl]-2-methoxyethanamine
CID 82448807
N-[3-(2-methylpropoxy)propyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 154835565
N-ethyl-2-(trifluoromethyl)quinazolin-4-amine
CID 21003229
2-N-(3-fluorophenyl)-4-N-(2-methoxyethyl)quinazoline-2,4-diamine
CID 91964242
3-fluoro-1-N-(2-methoxyethyl)benzene-1,2-diamine
CID 53255756
8-bromo-N-(2-methoxyethyl)quinazolin-4-amine
CID 110431527
N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 55377814
N-(2-methoxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304642

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-(2-methoxyethyl)-2-(trifluoromethyl)quinazolin-4-amine?
The IUPAC name of 8-fluoro-N-(2-methoxyethyl)-2-(trifluoromethyl)quinazolin-4-amine (CID 110431775) is 8-fluoro-N-(2-methoxyethyl)-2-(trifluoromethyl)quinazolin-4-amine.
What is the SMILES notation for 8-fluoro-N-(2-methoxyethyl)-2-(trifluoromethyl)quinazolin-4-amine?
The canonical SMILES for 8-fluoro-N-(2-methoxyethyl)-2-(trifluoromethyl)quinazolin-4-amine is COCCNc1nc(C(F)(F)F)nc2c(F)cccc12.
What is the InChIKey of 8-fluoro-N-(2-methoxyethyl)-2-(trifluoromethyl)quinazolin-4-amine?
The InChIKey is HHLUJRJGKGBQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F4N3O/c1-20-6-5-17-10-7-3-2-4-8(13)9(7)18-11(19-10)12(14,15)16/h2-4H,5-6H2,1H3,(H,17,18,19).
What are the key properties of 8-fluoro-N-(2-methoxyethyl)-2-(trifluoromethyl)quinazolin-4-amine?
8-fluoro-N-(2-methoxyethyl)-2-(trifluoromethyl)quinazolin-4-amine has a molecular weight of 289.23 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-(2-methoxyethyl)-2-(trifluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 110431775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).