6-methyl-4-propan-2-yl-8-(trifluoromethyl)quinazoline

C13H13F3N2 — CID 168917056

IUPAC6-methyl-4-propan-2-yl-8-(trifluoromethyl)quinazoline
SMILESCc1cc(C(F)(F)F)c2ncnc(C(C)C)c2c1
InChIInChI=1S/C13H13F3N2/c1-7(2)11-9-4-8(3)5-10(13(14,15)16)12(9)18-6-17-11/h4-7H,1-3H3
InChIKeyXZBNBOZBFVQTCK-UHFFFAOYSA-N
MW254.25 g/mol
LogP4.08
Rot. Bonds1

About 6-methyl-4-propan-2-yl-8-(trifluoromethyl)quinazoline

6-methyl-4-propan-2-yl-8-(trifluoromethyl)quinazoline (PubChem CID 168917056) has the molecular formula C13H13F3N2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 6-methyl-4-propan-2-yl-8-(trifluoromethyl)quinazoline.

Molecular Properties

Compound Name6-methyl-4-propan-2-yl-8-(trifluoromethyl)quinazoline
PubChem CID168917056
Molecular FormulaC13H13F3N2
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name6-methyl-4-propan-2-yl-8-(trifluoromethyl)quinazoline
SMILESCc1cc(C(F)(F)F)c2ncnc(C(C)C)c2c1
InChIInChI=1S/C13H13F3N2/c1-7(2)11-9-4-8(3)5-10(13(14,15)16)12(9)18-6-17-11/h4-7H,1-3H3
InChIKeyXZBNBOZBFVQTCK-UHFFFAOYSA-N
XLogP4.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-propan-2-yl-8-(trifluoromethyl)quinazoline?
The IUPAC name of 6-methyl-4-propan-2-yl-8-(trifluoromethyl)quinazoline (CID 168917056) is 6-methyl-4-propan-2-yl-8-(trifluoromethyl)quinazoline.
What is the SMILES notation for 6-methyl-4-propan-2-yl-8-(trifluoromethyl)quinazoline?
The canonical SMILES for 6-methyl-4-propan-2-yl-8-(trifluoromethyl)quinazoline is Cc1cc(C(F)(F)F)c2ncnc(C(C)C)c2c1.
What is the InChIKey of 6-methyl-4-propan-2-yl-8-(trifluoromethyl)quinazoline?
The InChIKey is XZBNBOZBFVQTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2/c1-7(2)11-9-4-8(3)5-10(13(14,15)16)12(9)18-6-17-11/h4-7H,1-3H3.
What are the key properties of 6-methyl-4-propan-2-yl-8-(trifluoromethyl)quinazoline?
6-methyl-4-propan-2-yl-8-(trifluoromethyl)quinazoline has a molecular weight of 254.25 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-propan-2-yl-8-(trifluoromethyl)quinazoline is sourced from PubChem (CID 168917056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).