6-methyl-2-phenyl-4,4-bis(trifluoromethyl)-1H-quinazoline

C17H12F6N2 — CID 12520997

IUPAC6-methyl-2-phenyl-4,4-bis(trifluoromethyl)-1H-quinazoline
SMILESCc1ccc2c(c1)C(C(F)(F)F)(C(F)(F)F)N=C(c1ccccc1)N2
InChIInChI=1S/C17H12F6N2/c1-10-7-8-13-12(9-10)15(16(18,19)20,17(21,22)23)25-14(24-13)11-5-3-2-4-6-11/h2-9H,1H3,(H,24,25)
InChIKeyYTGRJAMYPDNXGS-UHFFFAOYSA-N
MW358.29 g/mol
LogP5.19
Rot. Bonds1

About 6-methyl-2-phenyl-4,4-bis(trifluoromethyl)-1H-quinazoline

6-methyl-2-phenyl-4,4-bis(trifluoromethyl)-1H-quinazoline (PubChem CID 12520997) has the molecular formula C17H12F6N2 and a molecular weight of 358.29 g/mol. Its IUPAC name is 6-methyl-2-phenyl-4,4-bis(trifluoromethyl)-1H-quinazoline.

Molecular Properties

Compound Name6-methyl-2-phenyl-4,4-bis(trifluoromethyl)-1H-quinazoline
PubChem CID12520997
Molecular FormulaC17H12F6N2
Molecular Weight358.29 g/mol
Exact Mass358.09
IUPAC Name6-methyl-2-phenyl-4,4-bis(trifluoromethyl)-1H-quinazoline
SMILESCc1ccc2c(c1)C(C(F)(F)F)(C(F)(F)F)N=C(c1ccccc1)N2
InChIInChI=1S/C17H12F6N2/c1-10-7-8-13-12(9-10)15(16(18,19)20,17(21,22)23)25-14(24-13)11-5-3-2-4-6-11/h2-9H,1H3,(H,24,25)
InChIKeyYTGRJAMYPDNXGS-UHFFFAOYSA-N
XLogP5.19
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.29
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-phenyl-4,4-bis(trifluoromethyl)-1H-quinazoline?
The IUPAC name of 6-methyl-2-phenyl-4,4-bis(trifluoromethyl)-1H-quinazoline (CID 12520997) is 6-methyl-2-phenyl-4,4-bis(trifluoromethyl)-1H-quinazoline.
What is the SMILES notation for 6-methyl-2-phenyl-4,4-bis(trifluoromethyl)-1H-quinazoline?
The canonical SMILES for 6-methyl-2-phenyl-4,4-bis(trifluoromethyl)-1H-quinazoline is Cc1ccc2c(c1)C(C(F)(F)F)(C(F)(F)F)N=C(c1ccccc1)N2.
What is the InChIKey of 6-methyl-2-phenyl-4,4-bis(trifluoromethyl)-1H-quinazoline?
The InChIKey is YTGRJAMYPDNXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F6N2/c1-10-7-8-13-12(9-10)15(16(18,19)20,17(21,22)23)25-14(24-13)11-5-3-2-4-6-11/h2-9H,1H3,(H,24,25).
What are the key properties of 6-methyl-2-phenyl-4,4-bis(trifluoromethyl)-1H-quinazoline?
6-methyl-2-phenyl-4,4-bis(trifluoromethyl)-1H-quinazoline has a molecular weight of 358.29 g/mol, XLogP of 5.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-phenyl-4,4-bis(trifluoromethyl)-1H-quinazoline is sourced from PubChem (CID 12520997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).