6-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinazolin-4-amine

C18H16F3N3O — CID 155925715

IUPAC6-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinazolin-4-amine
SMILESCc1ccc2ncnc(NCCc3ccc(OC(F)(F)F)cc3)c2c1
InChIInChI=1S/C18H16F3N3O/c1-12-2-7-16-15(10-12)17(24-11-23-16)22-9-8-13-3-5-14(6-4-13)25-18(19,20)21/h2-7,10-11H,8-9H2,1H3,(H,22,23,24)
InChIKeyLVWSRGZAJFMPBC-UHFFFAOYSA-N
MW347.34 g/mol
LogP4.49
Rot. Bonds5

About 6-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinazolin-4-amine

6-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinazolin-4-amine (PubChem CID 155925715) has the molecular formula C18H16F3N3O and a molecular weight of 347.34 g/mol. Its IUPAC name is 6-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinazolin-4-amine
PubChem CID155925715
Molecular FormulaC18H16F3N3O
Molecular Weight347.34 g/mol
Exact Mass347.12
IUPAC Name6-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinazolin-4-amine
SMILESCc1ccc2ncnc(NCCc3ccc(OC(F)(F)F)cc3)c2c1
InChIInChI=1S/C18H16F3N3O/c1-12-2-7-16-15(10-12)17(24-11-23-16)22-9-8-13-3-5-14(6-4-13)25-18(19,20)21/h2-7,10-11H,8-9H2,1H3,(H,22,23,24)
InChIKeyLVWSRGZAJFMPBC-UHFFFAOYSA-N
XLogP4.49
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinazolin-4-amine?
The IUPAC name of 6-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinazolin-4-amine (CID 155925715) is 6-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinazolin-4-amine.
What is the SMILES notation for 6-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinazolin-4-amine?
The canonical SMILES for 6-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinazolin-4-amine is Cc1ccc2ncnc(NCCc3ccc(OC(F)(F)F)cc3)c2c1.
What is the InChIKey of 6-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinazolin-4-amine?
The InChIKey is LVWSRGZAJFMPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O/c1-12-2-7-16-15(10-12)17(24-11-23-16)22-9-8-13-3-5-14(6-4-13)25-18(19,20)21/h2-7,10-11H,8-9H2,1H3,(H,22,23,24).
What are the key properties of 6-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinazolin-4-amine?
6-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinazolin-4-amine has a molecular weight of 347.34 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinazolin-4-amine is sourced from PubChem (CID 155925715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).