2-(diethylamino)-7-(trifluoromethoxy)-3H-quinazolin-4-one

C13H14F3N3O2 — CID 139222854

IUPAC2-(diethylamino)-7-(trifluoromethoxy)-3H-quinazolin-4-one
SMILESCCN(CC)c1nc2cc(OC(F)(F)F)ccc2c(=O)[nH]1
InChIInChI=1S/C13H14F3N3O2/c1-3-19(4-2)12-17-10-7-8(21-13(14,15)16)5-6-9(10)11(20)18-12/h5-7H,3-4H2,1-2H3,(H,17,18,20)
InChIKeyDAJYMWNDKYNVRR-UHFFFAOYSA-N
MW301.27 g/mol
LogP2.67
Rot. Bonds4

About 2-(diethylamino)-7-(trifluoromethoxy)-3H-quinazolin-4-one

2-(diethylamino)-7-(trifluoromethoxy)-3H-quinazolin-4-one (PubChem CID 139222854) has the molecular formula C13H14F3N3O2 and a molecular weight of 301.27 g/mol. Its IUPAC name is 2-(diethylamino)-7-(trifluoromethoxy)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(diethylamino)-7-(trifluoromethoxy)-3H-quinazolin-4-one
PubChem CID139222854
Molecular FormulaC13H14F3N3O2
Molecular Weight301.27 g/mol
Exact Mass301.10
IUPAC Name2-(diethylamino)-7-(trifluoromethoxy)-3H-quinazolin-4-one
SMILESCCN(CC)c1nc2cc(OC(F)(F)F)ccc2c(=O)[nH]1
InChIInChI=1S/C13H14F3N3O2/c1-3-19(4-2)12-17-10-7-8(21-13(14,15)16)5-6-9(10)11(20)18-12/h5-7H,3-4H2,1-2H3,(H,17,18,20)
InChIKeyDAJYMWNDKYNVRR-UHFFFAOYSA-N
XLogP2.67
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;2-ethyl-6-(trifluoromethoxy)-3H-quinazolin-4-one
CID 144970353
2-(2,2-dimethylpropyl)-6-(trifluoromethoxy)-3H-quinazolin-4-one
CID 137232996
6-amino-2-[ethyl(2-methoxyethyl)amino]-3H-quinazolin-4-one
CID 136808802
3-iodo-6-(trifluoromethoxy)-2H-indazole
CID 124518985
7-chloro-2-(dimethylamino)-3H-quinazolin-4-one
CID 137287755
7-methoxy-2-(4-methoxyphenyl)-3H-quinazolin-4-one
CID 136593380
1-tert-butyl-6-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137260997
2-[2-(dimethylamino)ethoxy]-7-methoxy-3H-quinazolin-4-one
CID 154382532
N-[4-oxo-2-propyl-7-(trifluoromethoxy)quinazolin-3-yl]-2-phenylacetamide
CID 70838803
7-(dimethylamino)-3-[4-(trifluoromethoxy)phenyl]-2H-isoquinolin-1-one
CID 143087063
5-ethyl-4-methyl-2-[4-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one
CID 135996619
2-methylsulfonyl-6-(trifluoromethoxy)-1H-benzimidazole
CID 11507419

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-7-(trifluoromethoxy)-3H-quinazolin-4-one?
The IUPAC name of 2-(diethylamino)-7-(trifluoromethoxy)-3H-quinazolin-4-one (CID 139222854) is 2-(diethylamino)-7-(trifluoromethoxy)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(diethylamino)-7-(trifluoromethoxy)-3H-quinazolin-4-one?
The canonical SMILES for 2-(diethylamino)-7-(trifluoromethoxy)-3H-quinazolin-4-one is CCN(CC)c1nc2cc(OC(F)(F)F)ccc2c(=O)[nH]1.
What is the InChIKey of 2-(diethylamino)-7-(trifluoromethoxy)-3H-quinazolin-4-one?
The InChIKey is DAJYMWNDKYNVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O2/c1-3-19(4-2)12-17-10-7-8(21-13(14,15)16)5-6-9(10)11(20)18-12/h5-7H,3-4H2,1-2H3,(H,17,18,20).
What are the key properties of 2-(diethylamino)-7-(trifluoromethoxy)-3H-quinazolin-4-one?
2-(diethylamino)-7-(trifluoromethoxy)-3H-quinazolin-4-one has a molecular weight of 301.27 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-7-(trifluoromethoxy)-3H-quinazolin-4-one is sourced from PubChem (CID 139222854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).