7-(trifluoromethyl)-1,4-dihydroquinazolin-4-ol

C9H7F3N2O — CID 171384209

IUPAC7-(trifluoromethyl)-1,4-dihydroquinazolin-4-ol
SMILESOC1N=CNc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C9H7F3N2O/c10-9(11,12)5-1-2-6-7(3-5)13-4-14-8(6)15/h1-4,8,15H,(H,13,14)
InChIKeyUFDLCSUTXLWISC-UHFFFAOYSA-N
MW216.16 g/mol
LogP2.15
Rot. Bonds

About 7-(trifluoromethyl)-1,4-dihydroquinazolin-4-ol

7-(trifluoromethyl)-1,4-dihydroquinazolin-4-ol (PubChem CID 171384209) has the molecular formula C9H7F3N2O and a molecular weight of 216.16 g/mol. Its IUPAC name is 7-(trifluoromethyl)-1,4-dihydroquinazolin-4-ol.

Molecular Properties

Compound Name7-(trifluoromethyl)-1,4-dihydroquinazolin-4-ol
PubChem CID171384209
Molecular FormulaC9H7F3N2O
Molecular Weight216.16 g/mol
Exact Mass216.05
IUPAC Name7-(trifluoromethyl)-1,4-dihydroquinazolin-4-ol
SMILESOC1N=CNc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C9H7F3N2O/c10-9(11,12)5-1-2-6-7(3-5)13-4-14-8(6)15/h1-4,8,15H,(H,13,14)
InChIKeyUFDLCSUTXLWISC-UHFFFAOYSA-N
XLogP2.15
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.16
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Quinazoline, 5-fluoro-3,4-dihydro-4-hydroxy-
CID 145946017
3,4-Dihydroquinazolin-4-ol
CID 16640701
Quinazoline, 7-fluoro-3,4-dihydro-4-hydroxy-
CID 163647227
Quinazoline, 3,4-dihydro-4-hydroxy-6-trifluoromethyl-
CID 171384215
Quinazoline, 6-fluoro-3,4-dihydro-4-hydroxy-
CID 171384462
Quinazoline, 3,4-dihydro-4-hydroxy-5-trifluoromethyl-
CID 171384465
Quinazoline, 3,4-dihydro-4-hydroxy-8-trifluoromethyl-
CID 171384512
Quinazoline, 6-fluoro-3,4-dihydro-4-hydroxy-2-methyl-
CID 171384712
2-tert-Butyl-1,4-dihydroquinazolin-4-ol
CID 58798390
Quinazoline, 3,4-dihydro-4-hydroxy-8-methyl-
CID 129930917
Quinazoline, 3,4-dihydro-4-hydroxy-2-methyl-
CID 139473177
Quinazoline, 3,4-dihydro-4-hydroxy-5-methyl-
CID 129930909

Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-1,4-dihydroquinazolin-4-ol?
The IUPAC name of 7-(trifluoromethyl)-1,4-dihydroquinazolin-4-ol (CID 171384209) is 7-(trifluoromethyl)-1,4-dihydroquinazolin-4-ol.
What is the SMILES notation for 7-(trifluoromethyl)-1,4-dihydroquinazolin-4-ol?
The canonical SMILES for 7-(trifluoromethyl)-1,4-dihydroquinazolin-4-ol is OC1N=CNc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 7-(trifluoromethyl)-1,4-dihydroquinazolin-4-ol?
The InChIKey is UFDLCSUTXLWISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O/c10-9(11,12)5-1-2-6-7(3-5)13-4-14-8(6)15/h1-4,8,15H,(H,13,14).
What are the key properties of 7-(trifluoromethyl)-1,4-dihydroquinazolin-4-ol?
7-(trifluoromethyl)-1,4-dihydroquinazolin-4-ol has a molecular weight of 216.16 g/mol, XLogP of 2.15, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-1,4-dihydroquinazolin-4-ol is sourced from PubChem (CID 171384209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).