N-[2-[2-(methoxymethyl)phenyl]ethyl]-8-(trifluoromethyl)quinazolin-4-amine

C19H18F3N3O — CID 67600729

IUPACN-[2-[2-(methoxymethyl)phenyl]ethyl]-8-(trifluoromethyl)quinazolin-4-amine
SMILESCOCc1ccccc1CCNc1ncnc2c(C(F)(F)F)cccc12
InChIInChI=1S/C19H18F3N3O/c1-26-11-14-6-3-2-5-13(14)9-10-23-18-15-7-4-8-16(19(20,21)22)17(15)24-12-25-18/h2-8,12H,9-11H2,1H3,(H,23,24,25)
InChIKeySSTRXLMCYZOCHE-UHFFFAOYSA-N
MW361.37 g/mol
LogP4.45
Rot. Bonds6

About N-[2-[2-(methoxymethyl)phenyl]ethyl]-8-(trifluoromethyl)quinazolin-4-amine

N-[2-[2-(methoxymethyl)phenyl]ethyl]-8-(trifluoromethyl)quinazolin-4-amine (PubChem CID 67600729) has the molecular formula C19H18F3N3O and a molecular weight of 361.37 g/mol. Its IUPAC name is N-[2-[2-(methoxymethyl)phenyl]ethyl]-8-(trifluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[2-[2-(methoxymethyl)phenyl]ethyl]-8-(trifluoromethyl)quinazolin-4-amine
PubChem CID67600729
Molecular FormulaC19H18F3N3O
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC NameN-[2-[2-(methoxymethyl)phenyl]ethyl]-8-(trifluoromethyl)quinazolin-4-amine
SMILESCOCc1ccccc1CCNc1ncnc2c(C(F)(F)F)cccc12
InChIInChI=1S/C19H18F3N3O/c1-26-11-14-6-3-2-5-13(14)9-10-23-18-15-7-4-8-16(19(20,21)22)17(15)24-12-25-18/h2-8,12H,9-11H2,1H3,(H,23,24,25)
InChIKeySSTRXLMCYZOCHE-UHFFFAOYSA-N
XLogP4.45
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(methoxymethyl)phenyl]ethyl]-8-(trifluoromethyl)quinazolin-4-amine?
The IUPAC name of N-[2-[2-(methoxymethyl)phenyl]ethyl]-8-(trifluoromethyl)quinazolin-4-amine (CID 67600729) is N-[2-[2-(methoxymethyl)phenyl]ethyl]-8-(trifluoromethyl)quinazolin-4-amine.
What is the SMILES notation for N-[2-[2-(methoxymethyl)phenyl]ethyl]-8-(trifluoromethyl)quinazolin-4-amine?
The canonical SMILES for N-[2-[2-(methoxymethyl)phenyl]ethyl]-8-(trifluoromethyl)quinazolin-4-amine is COCc1ccccc1CCNc1ncnc2c(C(F)(F)F)cccc12.
What is the InChIKey of N-[2-[2-(methoxymethyl)phenyl]ethyl]-8-(trifluoromethyl)quinazolin-4-amine?
The InChIKey is SSTRXLMCYZOCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O/c1-26-11-14-6-3-2-5-13(14)9-10-23-18-15-7-4-8-16(19(20,21)22)17(15)24-12-25-18/h2-8,12H,9-11H2,1H3,(H,23,24,25).
What are the key properties of N-[2-[2-(methoxymethyl)phenyl]ethyl]-8-(trifluoromethyl)quinazolin-4-amine?
N-[2-[2-(methoxymethyl)phenyl]ethyl]-8-(trifluoromethyl)quinazolin-4-amine has a molecular weight of 361.37 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(methoxymethyl)phenyl]ethyl]-8-(trifluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 67600729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).