6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one

C10H11F3N2O — CID 11579535

IUPAC6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one
SMILESCC1CCc2[nH]c(=O)nc(C(F)(F)F)c2C1
InChIInChI=1S/C10H11F3N2O/c1-5-2-3-7-6(4-5)8(10(11,12)13)15-9(16)14-7/h5H,2-4H2,1H3,(H,14,15,16)
InChIKeyLNQYWVVWIYXPRB-UHFFFAOYSA-N
MW232.20 g/mol
LogP1.91
Rot. Bonds

About 6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one

6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one (PubChem CID 11579535) has the molecular formula C10H11F3N2O and a molecular weight of 232.20 g/mol. Its IUPAC name is 6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one.

Molecular Properties

Compound Name6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one
PubChem CID11579535
Molecular FormulaC10H11F3N2O
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC Name6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one
SMILESCC1CCc2[nH]c(=O)nc(C(F)(F)F)c2C1
InChIInChI=1S/C10H11F3N2O/c1-5-2-3-7-6(4-5)8(10(11,12)13)15-9(16)14-7/h5H,2-4H2,1H3,(H,14,15,16)
InChIKeyLNQYWVVWIYXPRB-UHFFFAOYSA-N
XLogP1.91
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The IUPAC name of 6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one (CID 11579535) is 6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one.
What is the SMILES notation for 6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The canonical SMILES for 6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one is CC1CCc2[nH]c(=O)nc(C(F)(F)F)c2C1.
What is the InChIKey of 6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The InChIKey is LNQYWVVWIYXPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c1-5-2-3-7-6(4-5)8(10(11,12)13)15-9(16)14-7/h5H,2-4H2,1H3,(H,14,15,16).
What are the key properties of 6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one has a molecular weight of 232.20 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one is sourced from PubChem (CID 11579535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).