1-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-ol

C12H11BrF3N3O — CID 21003322

IUPAC1-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-ol
SMILESCC(O)CNc1nc(C(F)(F)F)nc2ccc(Br)cc12
InChIInChI=1S/C12H11BrF3N3O/c1-6(20)5-17-10-8-4-7(13)2-3-9(8)18-11(19-10)12(14,15)16/h2-4,6,20H,5H2,1H3,(H,17,18,19)
InChIKeyUZXULLNFTZKECD-UHFFFAOYSA-N
MW350.14 g/mol
LogP3.20
Rot. Bonds3

About 1-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-ol

1-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-ol (PubChem CID 21003322) has the molecular formula C12H11BrF3N3O and a molecular weight of 350.14 g/mol. Its IUPAC name is 1-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-ol
PubChem CID21003322
Molecular FormulaC12H11BrF3N3O
Molecular Weight350.14 g/mol
Exact Mass349.00
IUPAC Name1-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-ol
SMILESCC(O)CNc1nc(C(F)(F)F)nc2ccc(Br)cc12
InChIInChI=1S/C12H11BrF3N3O/c1-6(20)5-17-10-8-4-7(13)2-3-9(8)18-11(19-10)12(14,15)16/h2-4,6,20H,5H2,1H3,(H,17,18,19)
InChIKeyUZXULLNFTZKECD-UHFFFAOYSA-N
XLogP3.20
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.14
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-ol?
The IUPAC name of 1-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-ol (CID 21003322) is 1-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-ol.
What is the SMILES notation for 1-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-ol?
The canonical SMILES for 1-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-ol is CC(O)CNc1nc(C(F)(F)F)nc2ccc(Br)cc12.
What is the InChIKey of 1-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-ol?
The InChIKey is UZXULLNFTZKECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrF3N3O/c1-6(20)5-17-10-8-4-7(13)2-3-9(8)18-11(19-10)12(14,15)16/h2-4,6,20H,5H2,1H3,(H,17,18,19).
What are the key properties of 1-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-ol?
1-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-ol has a molecular weight of 350.14 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-ol is sourced from PubChem (CID 21003322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).