7,7-dimethyl-2-(2,2,2-trifluoroethoxymethyl)-6,8-dihydroquinazolin-5-one

C13H15F3N2O2 — CID 103476133

IUPAC7,7-dimethyl-2-(2,2,2-trifluoroethoxymethyl)-6,8-dihydroquinazolin-5-one
SMILESCC1(C)CC(=O)c2cnc(COCC(F)(F)F)nc2C1
InChIInChI=1S/C13H15F3N2O2/c1-12(2)3-9-8(10(19)4-12)5-17-11(18-9)6-20-7-13(14,15)16/h5H,3-4,6-7H2,1-2H3
InChIKeyDWOQBPWQJLBERL-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.71
Rot. Bonds3

About 7,7-dimethyl-2-(2,2,2-trifluoroethoxymethyl)-6,8-dihydroquinazolin-5-one

7,7-dimethyl-2-(2,2,2-trifluoroethoxymethyl)-6,8-dihydroquinazolin-5-one (PubChem CID 103476133) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 7,7-dimethyl-2-(2,2,2-trifluoroethoxymethyl)-6,8-dihydroquinazolin-5-one.

Molecular Properties

Compound Name7,7-dimethyl-2-(2,2,2-trifluoroethoxymethyl)-6,8-dihydroquinazolin-5-one
PubChem CID103476133
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name7,7-dimethyl-2-(2,2,2-trifluoroethoxymethyl)-6,8-dihydroquinazolin-5-one
SMILESCC1(C)CC(=O)c2cnc(COCC(F)(F)F)nc2C1
InChIInChI=1S/C13H15F3N2O2/c1-12(2)3-9-8(10(19)4-12)5-17-11(18-9)6-20-7-13(14,15)16/h5H,3-4,6-7H2,1-2H3
InChIKeyDWOQBPWQJLBERL-UHFFFAOYSA-N
XLogP2.71
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-(2,2,2-trifluoroethoxymethyl)-6,8-dihydroquinazolin-5-one?
The IUPAC name of 7,7-dimethyl-2-(2,2,2-trifluoroethoxymethyl)-6,8-dihydroquinazolin-5-one (CID 103476133) is 7,7-dimethyl-2-(2,2,2-trifluoroethoxymethyl)-6,8-dihydroquinazolin-5-one.
What is the SMILES notation for 7,7-dimethyl-2-(2,2,2-trifluoroethoxymethyl)-6,8-dihydroquinazolin-5-one?
The canonical SMILES for 7,7-dimethyl-2-(2,2,2-trifluoroethoxymethyl)-6,8-dihydroquinazolin-5-one is CC1(C)CC(=O)c2cnc(COCC(F)(F)F)nc2C1.
What is the InChIKey of 7,7-dimethyl-2-(2,2,2-trifluoroethoxymethyl)-6,8-dihydroquinazolin-5-one?
The InChIKey is DWOQBPWQJLBERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c1-12(2)3-9-8(10(19)4-12)5-17-11(18-9)6-20-7-13(14,15)16/h5H,3-4,6-7H2,1-2H3.
What are the key properties of 7,7-dimethyl-2-(2,2,2-trifluoroethoxymethyl)-6,8-dihydroquinazolin-5-one?
7,7-dimethyl-2-(2,2,2-trifluoroethoxymethyl)-6,8-dihydroquinazolin-5-one has a molecular weight of 288.27 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-(2,2,2-trifluoroethoxymethyl)-6,8-dihydroquinazolin-5-one is sourced from PubChem (CID 103476133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).