N-(2-methoxyethyl)-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine

C18H16F3N3O — CID 3235465

IUPACN-(2-methoxyethyl)-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESCOCCNc1ncnc2ccc(-c3ccccc3C(F)(F)F)cc12
InChIInChI=1S/C18H16F3N3O/c1-25-9-8-22-17-14-10-12(6-7-16(14)23-11-24-17)13-4-2-3-5-15(13)18(19,20)21/h2-7,10-11H,8-9H2,1H3,(H,22,23,24)
InChIKeyLHNAWLSHHUPHQG-UHFFFAOYSA-N
MW347.34 g/mol
LogP4.37
Rot. Bonds5

About N-(2-methoxyethyl)-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine

N-(2-methoxyethyl)-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine (PubChem CID 3235465) has the molecular formula C18H16F3N3O and a molecular weight of 347.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
PubChem CID3235465
Molecular FormulaC18H16F3N3O
Molecular Weight347.34 g/mol
Exact Mass347.12
IUPAC NameN-(2-methoxyethyl)-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESCOCCNc1ncnc2ccc(-c3ccccc3C(F)(F)F)cc12
InChIInChI=1S/C18H16F3N3O/c1-25-9-8-22-17-14-10-12(6-7-16(14)23-11-24-17)13-4-2-3-5-15(13)18(19,20)21/h2-7,10-11H,8-9H2,1H3,(H,22,23,24)
InChIKeyLHNAWLSHHUPHQG-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine (CID 3235465) is N-(2-methoxyethyl)-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine is COCCNc1ncnc2ccc(-c3ccccc3C(F)(F)F)cc12.
What is the InChIKey of N-(2-methoxyethyl)-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The InChIKey is LHNAWLSHHUPHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O/c1-25-9-8-22-17-14-10-12(6-7-16(14)23-11-24-17)13-4-2-3-5-15(13)18(19,20)21/h2-7,10-11H,8-9H2,1H3,(H,22,23,24).
What are the key properties of N-(2-methoxyethyl)-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
N-(2-methoxyethyl)-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine has a molecular weight of 347.34 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 3235465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).