2-[[8-fluoro-2-(trifluoromethyl)quinazolin-4-yl]-(2-hydroxyethyl)amino]ethanol

C13H13F4N3O2 — CID 110433572

IUPAC2-[[8-fluoro-2-(trifluoromethyl)quinazolin-4-yl]-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)c1nc(C(F)(F)F)nc2c(F)cccc12
InChIInChI=1S/C13H13F4N3O2/c14-9-3-1-2-8-10(9)18-12(13(15,16)17)19-11(8)20(4-6-21)5-7-22/h1-3,21-22H,4-7H2
InChIKeyNHHLPLMIKLMBDC-UHFFFAOYSA-N
MW319.26 g/mol
LogP1.58
Rot. Bonds5

About 2-[[8-fluoro-2-(trifluoromethyl)quinazolin-4-yl]-(2-hydroxyethyl)amino]ethanol

2-[[8-fluoro-2-(trifluoromethyl)quinazolin-4-yl]-(2-hydroxyethyl)amino]ethanol (PubChem CID 110433572) has the molecular formula C13H13F4N3O2 and a molecular weight of 319.26 g/mol. Its IUPAC name is 2-[[8-fluoro-2-(trifluoromethyl)quinazolin-4-yl]-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[8-fluoro-2-(trifluoromethyl)quinazolin-4-yl]-(2-hydroxyethyl)amino]ethanol
PubChem CID110433572
Molecular FormulaC13H13F4N3O2
Molecular Weight319.26 g/mol
Exact Mass319.09
IUPAC Name2-[[8-fluoro-2-(trifluoromethyl)quinazolin-4-yl]-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)c1nc(C(F)(F)F)nc2c(F)cccc12
InChIInChI=1S/C13H13F4N3O2/c14-9-3-1-2-8-10(9)18-12(13(15,16)17)19-11(8)20(4-6-21)5-7-22/h1-3,21-22H,4-7H2
InChIKeyNHHLPLMIKLMBDC-UHFFFAOYSA-N
XLogP1.58
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.26
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-fluoro-N,N-bis(2-methoxyethyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 110433571
8-fluoro-N-(2-methoxyethyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 110431775
8-fluoro-N-hexyl-2-(trifluoromethyl)quinazolin-4-amine
CID 110431796
N-(2,4-difluorophenyl)-8-fluoro-2-(trifluoromethyl)quinazolin-4-amine
CID 110434764
2-[ethyl-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]ethanol
CID 110433325
2-[2-fluoro-N-(2-hydroxyethyl)anilino]ethanol
CID 94254513
2-[carboxymethyl-[2-(trifluoromethyl)quinazolin-4-yl]amino]acetic acid
CID 21003236
4-(benzotriazol-1-yl)-8-fluoro-2-(trifluoromethyl)quinazoline
CID 110435831
8-fluoro-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 110431777
2-[(3-fluoro-2-pyridinyl)-propylamino]ethanol
CID 62734185
4-[bis(2-hydroxyethyl)amino]quinazoline-2-carboxylic acid
CID 63867719
2-[(2-hydrazinylquinazolin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 80898602

Frequently Asked Questions

What is the IUPAC name of 2-[[8-fluoro-2-(trifluoromethyl)quinazolin-4-yl]-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[[8-fluoro-2-(trifluoromethyl)quinazolin-4-yl]-(2-hydroxyethyl)amino]ethanol (CID 110433572) is 2-[[8-fluoro-2-(trifluoromethyl)quinazolin-4-yl]-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[8-fluoro-2-(trifluoromethyl)quinazolin-4-yl]-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[[8-fluoro-2-(trifluoromethyl)quinazolin-4-yl]-(2-hydroxyethyl)amino]ethanol is OCCN(CCO)c1nc(C(F)(F)F)nc2c(F)cccc12.
What is the InChIKey of 2-[[8-fluoro-2-(trifluoromethyl)quinazolin-4-yl]-(2-hydroxyethyl)amino]ethanol?
The InChIKey is NHHLPLMIKLMBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F4N3O2/c14-9-3-1-2-8-10(9)18-12(13(15,16)17)19-11(8)20(4-6-21)5-7-22/h1-3,21-22H,4-7H2.
What are the key properties of 2-[[8-fluoro-2-(trifluoromethyl)quinazolin-4-yl]-(2-hydroxyethyl)amino]ethanol?
2-[[8-fluoro-2-(trifluoromethyl)quinazolin-4-yl]-(2-hydroxyethyl)amino]ethanol has a molecular weight of 319.26 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-fluoro-2-(trifluoromethyl)quinazolin-4-yl]-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 110433572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).