7-methyl-2,2-bis(trifluoromethyl)-1,3-dihydroquinazolin-4-one

C11H8F6N2O — CID 3389424

IUPAC7-methyl-2,2-bis(trifluoromethyl)-1,3-dihydroquinazolin-4-one
SMILESCc1ccc2c(c1)NC(C(F)(F)F)(C(F)(F)F)NC2=O
InChIInChI=1S/C11H8F6N2O/c1-5-2-3-6-7(4-5)18-9(10(12,13)14,11(15,16)17)19-8(6)20/h2-4,18H,1H3,(H,19,20)
InChIKeySRFWDXYSPLXTAU-UHFFFAOYSA-N
MW298.19 g/mol
LogP2.97
Rot. Bonds

About 7-methyl-2,2-bis(trifluoromethyl)-1,3-dihydroquinazolin-4-one

7-methyl-2,2-bis(trifluoromethyl)-1,3-dihydroquinazolin-4-one (PubChem CID 3389424) has the molecular formula C11H8F6N2O and a molecular weight of 298.19 g/mol. Its IUPAC name is 7-methyl-2,2-bis(trifluoromethyl)-1,3-dihydroquinazolin-4-one.

Molecular Properties

Compound Name7-methyl-2,2-bis(trifluoromethyl)-1,3-dihydroquinazolin-4-one
PubChem CID3389424
Molecular FormulaC11H8F6N2O
Molecular Weight298.19 g/mol
Exact Mass298.05
IUPAC Name7-methyl-2,2-bis(trifluoromethyl)-1,3-dihydroquinazolin-4-one
SMILESCc1ccc2c(c1)NC(C(F)(F)F)(C(F)(F)F)NC2=O
InChIInChI=1S/C11H8F6N2O/c1-5-2-3-6-7(4-5)18-9(10(12,13)14,11(15,16)17)19-8(6)20/h2-4,18H,1H3,(H,19,20)
InChIKeySRFWDXYSPLXTAU-UHFFFAOYSA-N
XLogP2.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2,2-bis(trifluoromethyl)-1,3-dihydroquinazolin-4-one?
The IUPAC name of 7-methyl-2,2-bis(trifluoromethyl)-1,3-dihydroquinazolin-4-one (CID 3389424) is 7-methyl-2,2-bis(trifluoromethyl)-1,3-dihydroquinazolin-4-one.
What is the SMILES notation for 7-methyl-2,2-bis(trifluoromethyl)-1,3-dihydroquinazolin-4-one?
The canonical SMILES for 7-methyl-2,2-bis(trifluoromethyl)-1,3-dihydroquinazolin-4-one is Cc1ccc2c(c1)NC(C(F)(F)F)(C(F)(F)F)NC2=O.
What is the InChIKey of 7-methyl-2,2-bis(trifluoromethyl)-1,3-dihydroquinazolin-4-one?
The InChIKey is SRFWDXYSPLXTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F6N2O/c1-5-2-3-6-7(4-5)18-9(10(12,13)14,11(15,16)17)19-8(6)20/h2-4,18H,1H3,(H,19,20).
What are the key properties of 7-methyl-2,2-bis(trifluoromethyl)-1,3-dihydroquinazolin-4-one?
7-methyl-2,2-bis(trifluoromethyl)-1,3-dihydroquinazolin-4-one has a molecular weight of 298.19 g/mol, XLogP of 2.97, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,2-bis(trifluoromethyl)-1,3-dihydroquinazolin-4-one is sourced from PubChem (CID 3389424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).